N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide

C16H12N2O3 — CID 167437420

IUPACN-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1
InChIInChI=1S/C16H12N2O3/c1-10(19)11-5-4-6-12(9-11)17-16(20)15-13-7-2-3-8-14(13)21-18-15/h2-9H,1H3,(H,17,20)
InChIKeyUZOHHUOCEUMDKK-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.28
Rot. Bonds3

About N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide

N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 167437420) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide
PubChem CID167437420
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1
InChIInChI=1S/C16H12N2O3/c1-10(19)11-5-4-6-12(9-11)17-16(20)15-13-7-2-3-8-14(13)21-18-15/h2-9H,1H3,(H,17,20)
InChIKeyUZOHHUOCEUMDKK-UHFFFAOYSA-N
XLogP3.28
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide 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

CID 1093730
CID 1093730
CID 1093763
CID 1093763
CID 15988802
CID 15988802
CID 17253304
CID 17253304
CID 1250455
CID 1250455
CID 33028
CID 33028
CID 1246614
CID 1246614
CID 16034497
CID 16034497
CID 127033642
CID 127033642
CID 1093771
CID 1093771
CID 3571869
CID 3571869
CID 8880740
CID 8880740

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide (CID 167437420) is N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2noc3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is UZOHHUOCEUMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(19)11-5-4-6-12(9-11)17-16(20)15-13-7-2-3-8-14(13)21-18-15/h2-9H,1H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 167437420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).