N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide

C23H18N2O4 — CID 53067051

IUPACN-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1
InChIInChI=1S/C23H18N2O4/c1-15(26)17-8-5-9-19(12-17)24-22(27)18-10-11-21-20(13-18)25(23(28)29-21)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyHTNAWDMXYUARCT-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.10
Rot. Bonds5

About N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide

N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067051) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067051
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1
InChIInChI=1S/C23H18N2O4/c1-15(26)17-8-5-9-19(12-17)24-22(27)18-10-11-21-20(13-18)25(23(28)29-21)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyHTNAWDMXYUARCT-UHFFFAOYSA-N
XLogP4.10
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
[3-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamic acid
CID 67447475
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
ethyl N-[3-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamate
CID 25124417
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067051) is N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is HTNAWDMXYUARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-15(26)17-8-5-9-19(12-17)24-22(27)18-10-11-21-20(13-18)25(23(28)29-21)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).