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

C18H16N2O4 — CID 3163769

IUPACN-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C18H16N2O4/c1-12(21)13-5-4-6-14(11-13)19-17(22)9-10-20-15-7-2-3-8-16(15)24-18(20)23/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyQFMSKSSKWNFYFS-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.83
Rot. Bonds5

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

N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3163769) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3163769
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C18H16N2O4/c1-12(21)13-5-4-6-14(11-13)19-17(22)9-10-20-15-7-2-3-8-16(15)24-18(20)23/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyQFMSKSSKWNFYFS-UHFFFAOYSA-N
XLogP2.83
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-Benzoyl-3H-benzooxazol-2-one
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3163769) is N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(=O)c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is QFMSKSSKWNFYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(21)13-5-4-6-14(11-13)19-17(22)9-10-20-15-7-2-3-8-16(15)24-18(20)23/h2-8,11H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(3-acetylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 2.83, 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-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3163769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).