4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid

C12H10N2O4 — CID 106422079

IUPAC4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)NCc2ccno2)cc1
InChIInChI=1S/C12H10N2O4/c15-11(13-7-10-5-6-14-18-10)8-1-3-9(4-2-8)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKeyNZUJEOOJYAIKRW-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.30
Rot. Bonds4

About 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid

4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid (PubChem CID 106422079) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
PubChem CID106422079
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)NCc2ccno2)cc1
InChIInChI=1S/C12H10N2O4/c15-11(13-7-10-5-6-14-18-10)8-1-3-9(4-2-8)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKeyNZUJEOOJYAIKRW-UHFFFAOYSA-N
XLogP1.30
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,2-oxazol-5-ylmethylcarbamoyl)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

4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 114186827
4-[(E)-N'-hydroxycarbamimidoyl]-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106421882
4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085
5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid
CID 106422064
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
4-amino-3-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939713

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid?
The IUPAC name of 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid (CID 106422079) is 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid is O=C(O)c1ccc(C(=O)NCc2ccno2)cc1.
What is the InChIKey of 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid?
The InChIKey is NZUJEOOJYAIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-11(13-7-10-5-6-14-18-10)8-1-3-9(4-2-8)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17).
What are the key properties of 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid?
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid has a molecular weight of 246.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid is sourced from PubChem (CID 106422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).