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

C14H13ClN2O4 — CID 107046625

IUPAC3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
SMILESCCc1noc(C)c1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-3-10-11(7(2)21-17-10)13(18)16-12-8(14(19)20)5-4-6-9(12)15/h4-6H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySVTGAMDLPLTPDK-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.15
Rot. Bonds4

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

3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid (PubChem CID 107046625) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
PubChem CID107046625
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
SMILESCCc1noc(C)c1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-3-10-11(7(2)21-17-10)13(18)16-12-8(14(19)20)5-4-6-9(12)15/h4-6H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySVTGAMDLPLTPDK-UHFFFAOYSA-N
XLogP3.15
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-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

3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833014
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357398
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615998
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18090028
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid (CID 107046625) is 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid is CCc1noc(C)c1C(=O)Nc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The InChIKey is SVTGAMDLPLTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-3-10-11(7(2)21-17-10)13(18)16-12-8(14(19)20)5-4-6-9(12)15/h4-6H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107046625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).