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

C12H9ClN2O4 — CID 66336452

IUPAC2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H9ClN2O4/c1-6-5-14-19-10(6)11(16)15-7-2-3-8(12(17)18)9(13)4-7/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyGUBCTTSUNAFJQD-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.59
Rot. Bonds3

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

2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 66336452) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID66336452
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H9ClN2O4/c1-6-5-14-19-10(6)11(16)15-7-2-3-8(12(17)18)9(13)4-7/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyGUBCTTSUNAFJQD-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

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Related Compounds

2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
N-(4-aminophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335876
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
2-chloro-4-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515648
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 66336452) is 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cnoc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is GUBCTTSUNAFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-6-5-14-19-10(6)11(16)15-7-2-3-8(12(17)18)9(13)4-7/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
2-chloro-4-[(4-methyl-1,2-oxazole-5-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-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66336452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).