3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole

C11H8F3NO — CID 174420328

IUPAC3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1ccc(C(F)(F)F)c(-c2ccon2)c1
InChIInChI=1S/C11H8F3NO/c1-7-2-3-9(11(12,13)14)8(6-7)10-4-5-16-15-10/h2-6H,1H3
InChIKeyOHOBSJNBJPEBJI-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.67
Rot. Bonds1

About 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole

3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 174420328) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID174420328
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1ccc(C(F)(F)F)c(-c2ccon2)c1
InChIInChI=1S/C11H8F3NO/c1-7-2-3-9(11(12,13)14)8(6-7)10-4-5-16-15-10/h2-6H,1H3
InChIKeyOHOBSJNBJPEBJI-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-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 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole (CID 174420328) is 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole is Cc1ccc(C(F)(F)F)c(-c2ccon2)c1.
What is the InChIKey of 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is OHOBSJNBJPEBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-2-3-9(11(12,13)14)8(6-7)10-4-5-16-15-10/h2-6H,1H3.
What are the key properties of 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole?
3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 227.19 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 174420328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).