N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide

C16H12N2O3 — CID 165412813

IUPACN-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc3ccccc23)cc1
InChIInChI=1S/C16H12N2O3/c1-10(19)11-6-8-12(9-7-11)17-16(20)15-13-4-2-3-5-14(13)21-18-15/h2-9H,1H3,(H,17,20)
InChIKeyPLIVETCICWRHCP-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.28
Rot. Bonds3

About N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide

N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 165412813) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide
PubChem CID165412813
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc3ccccc23)cc1
InChIInChI=1S/C16H12N2O3/c1-10(19)11-6-8-12(9-7-11)17-16(20)15-13-4-2-3-5-14(13)21-18-15/h2-9H,1H3,(H,17,20)
InChIKeyPLIVETCICWRHCP-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

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Related Compounds

N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
N-(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-yl)benzamide
CID 3073076
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
1-(1,2-Benzoxazol-3-ylmethyl)-3-(2,4-difluorophenyl)urea
CID 16034497
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1252051
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-phenyl-3-isoxazolecarboxamide
CID 1302330
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 4048568

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide (CID 165412813) is N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2noc3ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is PLIVETCICWRHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(19)11-6-8-12(9-7-11)17-16(20)15-13-4-2-3-5-14(13)21-18-15/h2-9H,1H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide?
N-(4-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-(4-acetylphenyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 165412813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).