2-(4-methylphenyl)-4H-1,3-oxazol-5-one

C10H9NO2 — CID 10464810

IUPAC2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NCC(=O)O2)cc1
InChIInChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)10-11-6-9(12)13-10/h2-5H,6H2,1H3
InChIKeyNWGFUHDEYAGAOD-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.30
Rot. Bonds1

About 2-(4-methylphenyl)-4H-1,3-oxazol-5-one

2-(4-methylphenyl)-4H-1,3-oxazol-5-one (PubChem CID 10464810) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-4H-1,3-oxazol-5-one
PubChem CID10464810
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NCC(=O)O2)cc1
InChIInChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)10-11-6-9(12)13-10/h2-5H,6H2,1H3
InChIKeyNWGFUHDEYAGAOD-UHFFFAOYSA-N
XLogP1.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-4H-1,3-oxazol-5-one 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 2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(4-methylphenyl)-4H-1,3-oxazol-5-one (CID 10464810) is 2-(4-methylphenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-methylphenyl)-4H-1,3-oxazol-5-one is Cc1ccc(C2=NCC(=O)O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The InChIKey is NWGFUHDEYAGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)10-11-6-9(12)13-10/h2-5H,6H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
2-(4-methylphenyl)-4H-1,3-oxazol-5-one has a molecular weight of 175.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 10464810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).