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

C12H9ClN2O4 — CID 61398577

IUPAC2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)no1
InChIInChI=1S/C12H9ClN2O4/c1-6-4-10(15-19-6)11(16)14-7-2-3-8(12(17)18)9(13)5-7/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyUKQFXYZYIMDVMD-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.59
Rot. Bonds3

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

2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (PubChem CID 61398577) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
PubChem CID61398577
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)no1
InChIInChI=1S/C12H9ClN2O4/c1-6-4-10(15-19-6)11(16)14-7-2-3-8(12(17)18)9(13)5-7/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyUKQFXYZYIMDVMD-UHFFFAOYSA-N
XLogP2.59
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131933694
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (CID 61398577) is 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)no1.
What is the InChIKey of 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The InChIKey is UKQFXYZYIMDVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-6-4-10(15-19-6)11(16)14-7-2-3-8(12(17)18)9(13)5-7/h2-5H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid has a molecular weight of 280.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61398577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).