1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

C12H10ClNO2 — CID 15239218

IUPAC1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C12H10ClNO2/c1-8-6-11(16-14-8)7-12(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyVEMLIEHLAYSQOC-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 15239218) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID15239218
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)c2ccc(Cl)cc2)on1
InChIInChI=1S/C12H10ClNO2/c1-8-6-11(16-14-8)7-12(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3
InChIKeyVEMLIEHLAYSQOC-UHFFFAOYSA-N
XLogP3.06
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167590752
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
2-(3-methyl-1,2-oxazol-5-yl)acetohydrazide;hydrochloride
CID 66651040
2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 77096724
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672
4-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzoic acid
CID 55181754
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 15239218) is 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)c2ccc(Cl)cc2)on1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is VEMLIEHLAYSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8-6-11(16-14-8)7-12(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 235.67 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 15239218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).