5-[3-(trifluoromethyl)phenyl]-1,3-oxazole

C10H6F3NO — CID 2777664

IUPAC5-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(-c2cnco2)c1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(4-8)9-5-14-6-15-9/h1-6H
InChIKeyVZPSLWXHNGQMCO-UHFFFAOYSA-N
MW213.16 g/mol
LogP3.36
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole

5-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 2777664) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID2777664
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1cccc(-c2cnco2)c1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(4-8)9-5-14-6-15-9/h1-6H
InChIKeyVZPSLWXHNGQMCO-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole 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 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 2777664) is 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1cccc(-c2cnco2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is VZPSLWXHNGQMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(4-8)9-5-14-6-15-9/h1-6H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
5-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 213.16 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 2777664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).