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Isoxazoles

Compuestos heterocíclicos orgánicos aromáticos que están formados por un azol con un átomo de nitrógeno y un átomo de oxígeno con la fórmula: C3H3NO.
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Grado

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1

3-Hidroxi-5-metilisoxazol, 97 %, Thermo Scientific Chemicals

CAS: 10004-44-1 Fórmula molecular: C4H5NO2 Peso molecular (g/mol): 99.089 Número MDL: MFCD00144468 Clave InChI: KGVPNLBXJKTABS-UHFFFAOYSA-N Sinónimo: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 Nombre IUPAC: 5-metil-1,2-oxazol-3-ona SMILES: CC1=CC(=O)NO1

Sinónimo hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
Clave InChI KGVPNLBXJKTABS-UHFFFAOYSA-N
PubChem CID 24781
Fórmula molecular C4H5NO2
CAS 10004-44-1
ChEBI CHEBI:5827
Peso molecular (g/mol) 99.089
Número MDL MFCD00144468
SMILES CC1=CC(=O)NO1
Nombre IUPAC 5-metil-1,2-oxazol-3-ona
2

(5-Fenilisoxazol-3-il)metanol, 97 %, Thermo Scientific™

CAS: 1619-37-0 Fórmula molecular: C10H9NO2 Peso molecular (g/mol): 175.187 Número MDL: MFCD01444104 Clave InChI: BPAFLGGUEBMWRN-UHFFFAOYSA-N PubChem CID: 1481082 Nombre IUPAC: (5-fenil-1,2-oxazol-3-il)metanol SMILES: C1=CC=C(C=C1)C2=CC(=NO2)CO

Clave InChI BPAFLGGUEBMWRN-UHFFFAOYSA-N
PubChem CID 1481082
Fórmula molecular C10H9NO2
CAS 1619-37-0
Peso molecular (g/mol) 175.187
Número MDL MFCD01444104
SMILES C1=CC=C(C=C1)C2=CC(=NO2)CO
Nombre IUPAC (5-fenil-1,2-oxazol-3-il)metanol
5

ácido 3-metil-4-isoxazolcarboxílico, 97 %, Thermo Scientific™

CAS: 17153-20-7 Fórmula molecular: C5H5NO3 Peso molecular (g/mol): 127.099 Clave InChI: YBLSBWHFPXDRHC-UHFFFAOYSA-N Sinónimo: 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl PubChem CID: 4589692 Nombre IUPAC: ácido 3-metil-1,2-oxazol-4-carboxílico SMILES: CC1=NOC=C1C(=O)O

Sinónimo 3-methylisoxazole-4-carboxylic acid,3-methyl-4-isoxazolecarboxylic acid,3-methyl-4-isoxazolecarboxylicacid,3-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-methyl,3-methylisoxazole-4-carboxylicacid,pubchem10465,acmc-1c78i,3-methylisoxazole-s-carboxylic acid,4-isoxazolecarboxylicacid,3-methyl
Clave InChI YBLSBWHFPXDRHC-UHFFFAOYSA-N
PubChem CID 4589692
Fórmula molecular C5H5NO3
CAS 17153-20-7
Peso molecular (g/mol) 127.099
SMILES CC1=NOC=C1C(=O)O
Nombre IUPAC ácido 3-metil-1,2-oxazol-4-carboxílico
7

Ácido 3-metilisoxazol-5-carboxílico, 97 %, Thermo Scientific™

CAS: 4857-42-5 Fórmula molecular: C5H5NO3 Peso molecular (g/mol): 127.099 Número MDL: MFCD00464222 Clave InChI: HXIYCKAAQPHZBM-UHFFFAOYSA-N Sinónimo: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 Nombre IUPAC: ácido 3-metil-1,2-oxazol-5-carboxílico SMILES: CC1=NOC(=C1)C(=O)O

Sinónimo 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
Clave InChI HXIYCKAAQPHZBM-UHFFFAOYSA-N
PubChem CID 853085
Fórmula molecular C5H5NO3
CAS 4857-42-5
Peso molecular (g/mol) 127.099
Número MDL MFCD00464222
SMILES CC1=NOC(=C1)C(=O)O
Nombre IUPAC ácido 3-metil-1,2-oxazol-5-carboxílico
8

5-Metil-3-isoxazolcarbonitrilo, 97 %, Thermo Scientific™

CAS: 57351-99-2 Fórmula molecular: C5H4N2O Peso molecular (g/mol): 108.10 Número MDL: MFCD09064940 Clave InChI: JTPIMYCMWLOEDD-UHFFFAOYSA-N PubChem CID: 24229456 Nombre IUPAC: 5-metil-1,2-oxazol-3-carbonitrilo SMILES: CC1=CC(=NO1)C#N

Clave InChI JTPIMYCMWLOEDD-UHFFFAOYSA-N
PubChem CID 24229456
Fórmula molecular C5H4N2O
CAS 57351-99-2
Peso molecular (g/mol) 108.10
Número MDL MFCD09064940
SMILES CC1=CC(=NO1)C#N
Nombre IUPAC 5-metil-1,2-oxazol-3-carbonitrilo
9

Cloruro de 3-(4-metoxifenil)-5-metil-4-isoxazolcarbonilo, 97 %, Thermo Scientific™

CAS: 465514-03-8 Fórmula molecular: C12H10ClNO3 Peso molecular (g/mol): 251.67 Número MDL: MFCD03407359 Clave InChI: FABGSPUDPOKWCR-UHFFFAOYSA-N Sinónimo: 3-4-methoxyphenyl-5-methyl-4-isoxazolecarbonyl chloride,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-4-methoxyphenyl-5-methylisoxazole-4-carbonyl chloride PubChem CID: 2779766 Nombre IUPAC: cloruro de 3-(4-metoxifenilo)-5-metil-1,2-oxazol-4-carbonilo SMILES: COC1=CC=C(C=C1)C1=NOC(C)=C1C(Cl)=O

Sinónimo 3-4-methoxyphenyl-5-methyl-4-isoxazolecarbonyl chloride,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carbonyl chloride,3-4-methoxyphenyl-5-methylisoxazole-4-carbonyl chloride
Clave InChI FABGSPUDPOKWCR-UHFFFAOYSA-N
PubChem CID 2779766
Fórmula molecular C12H10ClNO3
CAS 465514-03-8
Peso molecular (g/mol) 251.67
Número MDL MFCD03407359
SMILES COC1=CC=C(C=C1)C1=NOC(C)=C1C(Cl)=O
Nombre IUPAC cloruro de 3-(4-metoxifenilo)-5-metil-1,2-oxazol-4-carbonilo
10

3-(Clorometilo)-5-fenilisoxazol, ≥97 %, Thermo Scientific™

CAS: 14731-10-3 Fórmula molecular: C10H8ClNO Peso molecular (g/mol): 193.63 Número MDL: MFCD01444154 Clave InChI: MLJJRVMANUGETQ-UHFFFAOYSA-N PubChem CID: 1484769 Nombre IUPAC: 3-(clorometil)-5-fenil-1,2-oxazol SMILES: ClCC1=NOC(=C1)C1=CC=CC=C1

Clave InChI MLJJRVMANUGETQ-UHFFFAOYSA-N
PubChem CID 1484769
Fórmula molecular C10H8ClNO
CAS 14731-10-3
Peso molecular (g/mol) 193.63
Número MDL MFCD01444154
SMILES ClCC1=NOC(=C1)C1=CC=CC=C1
Nombre IUPAC 3-(clorometil)-5-fenil-1,2-oxazol
11

(5-metilisoxazol-3-il)metanol, 97 %, Thermo Scientific™

CAS: 35166-33-7 Fórmula molecular: C5H7NO2 Peso molecular (g/mol): 113.12 Número MDL: MFCD00085129 Clave InChI: MDYHWQQHEWDJKR-UHFFFAOYSA-N Sinónimo: 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl PubChem CID: 2736567 Nombre IUPAC: (5-metil-1,2-oxazol-3-il)metanol SMILES: CC1=CC(CO)=NO1

Sinónimo 5-methylisoxazol-3-yl methanol,3-hydroxymethyl-5-methylisoxazole,5-methyl-1,2-oxazol-3-yl methanol,5-methyl-3-isoxazolemethanol,5-methyl-isoxazol-3-yl-methanol,5-methylisoxazole-3-methanol,5-methyl-3-isoxazolyl methanol,5-methyl-isoxazol-3-yl methanol,3-isoxazolemethanol, 5-methyl
Clave InChI MDYHWQQHEWDJKR-UHFFFAOYSA-N
PubChem CID 2736567
Fórmula molecular C5H7NO2
CAS 35166-33-7
Peso molecular (g/mol) 113.12
Número MDL MFCD00085129
SMILES CC1=CC(CO)=NO1
Nombre IUPAC (5-metil-1,2-oxazol-3-il)metanol
12

Ácido 3-(2,6-diclorofenil)-5-metilisoxazol-4-carboxílico, 97 %, Thermo Scientific™

CAS: 3919-76-4 Fórmula molecular: C11H7Cl2NO3 Peso molecular (g/mol): 272.08 Número MDL: MFCD00051658 Clave InChI: WQXUUMUOERZZAE-UHFFFAOYSA-N Sinónimo: 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid PubChem CID: 77521 Nombre IUPAC: ácido 3-(2,6-diclorofenil)-5-metil-1,2-oxazol-4-carboxílico SMILES: CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl

Sinónimo 3-2,6-dichlorophenyl-5-methylisoxazole-4-carboxylic acid,5-methyl-3-2',6'-dichlorophenyl-4-isoxazolecarboxylic acid,4-isoxazolecarboxylic acid, 3-2,6-dichlorophenyl-5-methyl,3-2,6-dichlorophenyl-5-methyl-1,2-oxazole-4-carboxylic acid,3-2,6-dichlorophenyl-5-methyl-4-isoxazolecarboxylic acid,pubchem8684,dicloxacillin impurity d,acmc-1cmb3,pyridinium hydroxy propyl sulphobetaine; pps-oh,3-2,6-dichlorophenyl-5-methylisoxazol-4-carboxylic acid
Clave InChI WQXUUMUOERZZAE-UHFFFAOYSA-N
PubChem CID 77521
Fórmula molecular C11H7Cl2NO3
CAS 3919-76-4
Peso molecular (g/mol) 272.08
Número MDL MFCD00051658
SMILES CC1=C(C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
Nombre IUPAC ácido 3-(2,6-diclorofenil)-5-metil-1,2-oxazol-4-carboxílico
13

Ácido 3-metil-5-fenil-4-isoxazolcarboxílico, 97 %, Thermo Scientific™

CAS: 17153-21-8 Fórmula molecular: C11H9NO3 Peso molecular (g/mol): 203.197 Clave InChI: GLNQCTGGLIXRRJ-UHFFFAOYSA-N Sinónimo: 3-methyl-5-phenylisoxazole-4-carboxylic acid,3-methyl-5-phenyl-4-isoxazolecarboxylic acid,4-carboxy-3-methylisoxazol-5-yl benzene,3-methyl-5-phenyl-4-isoxazole carboxylic acid,3-methyl-5-phenyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-methyl-5-phenyl,4-isoxazolecarboxylic acid, 3-methyl-5-phenyl PubChem CID: 2776514 Nombre IUPAC: ácido 3-metil-5-fenil-1,2-oxazol-4-carboxílico SMILES: CC1=NOC(=C1C(=O)O)C2=CC=CC=C2

Sinónimo 3-methyl-5-phenylisoxazole-4-carboxylic acid,3-methyl-5-phenyl-4-isoxazolecarboxylic acid,4-carboxy-3-methylisoxazol-5-yl benzene,3-methyl-5-phenyl-4-isoxazole carboxylic acid,3-methyl-5-phenyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-methyl-5-phenyl,4-isoxazolecarboxylic acid, 3-methyl-5-phenyl
Clave InChI GLNQCTGGLIXRRJ-UHFFFAOYSA-N
PubChem CID 2776514
Fórmula molecular C11H9NO3
CAS 17153-21-8
Peso molecular (g/mol) 203.197
SMILES CC1=NOC(=C1C(=O)O)C2=CC=CC=C2
Nombre IUPAC ácido 3-metil-5-fenil-1,2-oxazol-4-carboxílico
14

5-(Hidroximetil)isoxazol-3-carboxilato de etilo, 90 %, Thermo Scientific™

CAS: 123770-62-7 Fórmula molecular: C7H9NO4 Peso molecular (g/mol): 171.152 Número MDL: MFCD08273501 Clave InChI: ZWVVVEYXDQMHGQ-UHFFFAOYSA-N Sinónimo: ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate PubChem CID: 8027233 Nombre IUPAC: 5-(hidroximetil)-1,2-oxazol-3-carboxilato de etilo SMILES: CCOC(=O)C1=NOC(=C1)CO

Sinónimo ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate
Clave InChI ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
PubChem CID 8027233
Fórmula molecular C7H9NO4
CAS 123770-62-7
Peso molecular (g/mol) 171.152
Número MDL MFCD08273501
SMILES CCOC(=O)C1=NOC(=C1)CO
Nombre IUPAC 5-(hidroximetil)-1,2-oxazol-3-carboxilato de etilo
15

Cloruro de 5-metilisoxazol-3-carbonilo, 97 %, Thermo Scientific™

CAS: 39499-34-8 Fórmula molecular: C5H4ClNO2 Peso molecular (g/mol): 145.54 Número MDL: MFCD00085127 Clave InChI: XMVNMWDLOGSUSM-UHFFFAOYSA-N Sinónimo: 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride PubChem CID: 2736894 Nombre IUPAC: cloruro de 5-metil-1,2-oxazol-3-carbonilo SMILES: CC1=CC(=NO1)C(Cl)=O

Sinónimo 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride
Clave InChI XMVNMWDLOGSUSM-UHFFFAOYSA-N
PubChem CID 2736894
Fórmula molecular C5H4ClNO2
CAS 39499-34-8
Peso molecular (g/mol) 145.54
Número MDL MFCD00085127
SMILES CC1=CC(=NO1)C(Cl)=O
Nombre IUPAC cloruro de 5-metil-1,2-oxazol-3-carbonilo