3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one

C10H6F3NO2 — CID 75359330

IUPAC3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc(C(F)(F)F)c2)[nH]o1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(15)16-14-8/h1-5,14H
InChIKeyRXBUFOFGDQLFMU-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.65
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one

3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one (PubChem CID 75359330) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
PubChem CID75359330
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cccc(C(F)(F)F)c2)[nH]o1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(15)16-14-8/h1-5,14H
InChIKeyRXBUFOFGDQLFMU-UHFFFAOYSA-N
XLogP2.65
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(trifluoromethyl)phenyl]-2H-1,2-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 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one (CID 75359330) is 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one is O=c1cc(-c2cccc(C(F)(F)F)c2)[nH]o1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The InChIKey is RXBUFOFGDQLFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(15)16-14-8/h1-5,14H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one has a molecular weight of 229.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 75359330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).