N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H16N2O4 — CID 18886772

IUPACN-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H16N2O4/c1-11(20-15-5-3-4-6-16(15)24-18(20)23)17(22)19-14-9-7-13(8-10-14)12(2)21/h3-11H,1-2H3,(H,19,22)
InChIKeyLUKIJQKQYLFUSK-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.00
Rot. Bonds4

About N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 18886772) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID18886772
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C18H16N2O4/c1-11(20-15-5-3-4-6-16(15)24-18(20)23)17(22)19-14-9-7-13(8-10-14)12(2)21/h3-11H,1-2H3,(H,19,22)
InChIKeyLUKIJQKQYLFUSK-UHFFFAOYSA-N
XLogP3.00
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
N-[4-(cyanomethyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611025
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400292
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 37400112
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
N-(4-morpholin-2-ylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 167846132
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 99773500
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
CID 24675990
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 26124939
N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4911728

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 18886772) is N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(=O)c1ccc(NC(=O)C(C)n2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is LUKIJQKQYLFUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(20-15-5-3-4-6-16(15)24-18(20)23)17(22)19-14-9-7-13(8-10-14)12(2)21/h3-11H,1-2H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 18886772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).