3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C12H9FN2O5 — CID 107369102

IUPAC3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1F
InChIInChI=1S/C12H9FN2O5/c1-19-9-3-2-6(4-7(9)13)14-11(16)8-5-10(12(17)18)20-15-8/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyVOFJMIGXYVWHAW-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.77
Rot. Bonds4

About 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369102) has the molecular formula C12H9FN2O5 and a molecular weight of 280.21 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369102
Molecular FormulaC12H9FN2O5
Molecular Weight280.21 g/mol
Exact Mass280.05
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1F
InChIInChI=1S/C12H9FN2O5/c1-19-9-3-2-6(4-7(9)13)14-11(16)8-5-10(12(17)18)20-15-8/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyVOFJMIGXYVWHAW-UHFFFAOYSA-N
XLogP1.77
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625824
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073
N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802467
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369102) is 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VOFJMIGXYVWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O5/c1-19-9-3-2-6(4-7(9)13)14-11(16)8-5-10(12(17)18)20-15-8/h2-5H,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 280.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).