3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid

C12H9FN2O4 — CID 55159058

IUPAC3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)cc2F)no1
InChIInChI=1S/C12H9FN2O4/c1-6-4-10(15-19-6)11(16)14-9-3-2-7(12(17)18)5-8(9)13/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyVPSOCQPKJOWFIA-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.07
Rot. Bonds3

About 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid

3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (PubChem CID 55159058) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
PubChem CID55159058
Molecular FormulaC12H9FN2O4
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)cc2F)no1
InChIInChI=1S/C12H9FN2O4/c1-6-4-10(15-19-6)11(16)14-9-3-2-7(12(17)18)5-8(9)13/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyVPSOCQPKJOWFIA-UHFFFAOYSA-N
XLogP2.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66156540
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
N-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113330182
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 63189912
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496426
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (CID 55159058) is 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2F)no1.
What is the InChIKey of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The InChIKey is VPSOCQPKJOWFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c1-6-4-10(15-19-6)11(16)14-9-3-2-7(12(17)18)5-8(9)13/h2-5H,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid has a molecular weight of 264.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 55159058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).