1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone

C12H11NO2 — CID 58063079

IUPAC1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccccc1C
InChIInChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)12-11(9(2)14)7-13-15-12/h3-7H,1-2H3
InChIKeyJDOFCTSXQFEUGW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds2

About 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone

1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone (PubChem CID 58063079) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
PubChem CID58063079
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1ccccc1C
InChIInChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)12-11(9(2)14)7-13-15-12/h3-7H,1-2H3
InChIKeyJDOFCTSXQFEUGW-UHFFFAOYSA-N
XLogP2.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2-methylphenyl)-1,2-oxazol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone (CID 58063079) is 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1ccccc1C.
What is the InChIKey of 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is JDOFCTSXQFEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)12-11(9(2)14)7-13-15-12/h3-7H,1-2H3.
What are the key properties of 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone?
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 58063079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).