N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

C17H14N2O4 — CID 110766586

IUPACN-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H14N2O4/c1-10(20)11-3-6-13(7-4-11)18-16(21)12-5-8-14-15(9-12)23-17(22)19(14)2/h3-9H,1-2H3,(H,18,21)
InChIKeyWWZRONIXMZTWQQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.59
Rot. Bonds3

About N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766586) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766586
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H14N2O4/c1-10(20)11-3-6-13(7-4-11)18-16(21)12-5-8-14-15(9-12)23-17(22)19(14)2/h3-9H,1-2H3,(H,18,21)
InChIKeyWWZRONIXMZTWQQ-UHFFFAOYSA-N
XLogP2.59
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 71879473
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766586) is N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is WWZRONIXMZTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10(20)11-3-6-13(7-4-11)18-16(21)12-5-8-14-15(9-12)23-17(22)19(14)2/h3-9H,1-2H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).