5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

C16H10ClN3O4 — CID 142773841

IUPAC5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2ccncc2)c1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClN3O4/c17-11-3-1-2-10(8-11)14(21)19-15-12(16(22)23)13(20-24-15)9-4-6-18-7-5-9/h1-8H,(H,19,21)(H,22,23)
InChIKeyLWFWEQBYJPAJLD-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.34
Rot. Bonds4

About 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid

5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773841) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773841
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Name5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(Nc1onc(-c2ccncc2)c1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClN3O4/c17-11-3-1-2-10(8-11)14(21)19-15-12(16(22)23)13(20-24-15)9-4-6-18-7-5-9/h1-8H,(H,19,21)(H,22,23)
InChIKeyLWFWEQBYJPAJLD-UHFFFAOYSA-N
XLogP3.34
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic 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

5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 110483619
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
N-[3-(3-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]quinoline-4-carboxamide
CID 139825887
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520979

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid (CID 142773841) is 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is O=C(Nc1onc(-c2ccncc2)c1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LWFWEQBYJPAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-11-3-1-2-10(8-11)14(21)19-15-12(16(22)23)13(20-24-15)9-4-6-18-7-5-9/h1-8H,(H,19,21)(H,22,23).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid?
5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 343.73 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).