3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C10H7F4NO2 — CID 2881538

IUPAC3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyFIIZCXABWYGMAX-UHFFFAOYSA-N
MW249.16 g/mol
LogP2.20
Rot. Bonds1

About 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 2881538) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID2881538
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyFIIZCXABWYGMAX-UHFFFAOYSA-N
XLogP2.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol 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-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 2881538) is 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is FIIZCXABWYGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2.
What are the key properties of 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 249.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2881538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).