2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one

C11H8ClNO3 — CID 15415425

IUPAC2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one
SMILESCC(=O)n1oc(=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO3/c1-7(14)13-10(6-11(15)16-13)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyQHKWRKUAXZNODO-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.42
Rot. Bonds1

About 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one

2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one (PubChem CID 15415425) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one
PubChem CID15415425
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one
SMILESCC(=O)n1oc(=O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO3/c1-7(14)13-10(6-11(15)16-13)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyQHKWRKUAXZNODO-UHFFFAOYSA-N
XLogP2.42
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hyroxy-4-methyl-6-(4-chlorobenzyl)-2-pyridone
CID 20158062
3-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
methyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11402552
6-(4-chlorophenyl)-4-methylpyridin-2(1H)-one
CID 404694
3-Methyl-2-(2',4'-dichlorobenzoyl)-3-isoxazolin-5-one
CID 13423444
2-Acetyl-3-phenyl-1,2-oxazol-5-one
CID 15271056
3-(4-Chloro-2-fluorophenyl)-1,2-oxazol-5-ol
CID 75359359
2-(4-Chlorobenzoyl)-3-methyl-1,2-oxazol-5(2H)-one
CID 13423448
3-n-Propyl-2-(2',4'-dichlorobenzoyl)-3-isoxazolin-5-one
CID 13423445
6-(4-Chloro-3-methylphenyl)-1-hydroxy-4-methylpyridin-2-one
CID 20158077
6-(3-Chlorophenyl)-1-hydroxy-4-methylpyridin-2-one
CID 20158106
3-Propan-2-yl-2-(2,4,6-trichlorobenzoyl)-1,2-oxazol-5-one
CID 20405580

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one?
The IUPAC name of 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one (CID 15415425) is 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one.
What is the SMILES notation for 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one?
The canonical SMILES for 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one is CC(=O)n1oc(=O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one?
The InChIKey is QHKWRKUAXZNODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-7(14)13-10(6-11(15)16-13)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one?
2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one has a molecular weight of 237.64 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-(4-chlorophenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 15415425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).