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

C19H18N2O4 — CID 4822292

IUPACN-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H18N2O4/c1-13(22)14-6-4-7-15(12-14)20-18(23)10-5-11-21-16-8-2-3-9-17(16)25-19(21)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)
InChIKeyZWUNLUVHQRLLQF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.22
Rot. Bonds6

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

N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 4822292) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID4822292
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H18N2O4/c1-13(22)14-6-4-7-15(12-14)20-18(23)10-5-11-21-16-8-2-3-9-17(16)25-19(21)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)
InChIKeyZWUNLUVHQRLLQF-UHFFFAOYSA-N
XLogP3.22
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 31290190
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51949462
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
ethyl 4-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate
CID 4805932
3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27990480
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 4822292) is N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CC(=O)c1cccc(NC(=O)CCCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is ZWUNLUVHQRLLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13(22)14-6-4-7-15(12-14)20-18(23)10-5-11-21-16-8-2-3-9-17(16)25-19(21)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 338.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 4822292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).