3-(2,2,2-trifluoroethyl)-1,2-oxazole

C5H4F3NO — CID 159003796

IUPAC3-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESFC(F)(F)Cc1ccon1
InChIInChI=1S/C5H4F3NO/c6-5(7,8)3-4-1-2-10-9-4/h1-2H,3H2
InChIKeyJRQYHEBAMCAWLG-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.78
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1,2-oxazole

3-(2,2,2-trifluoroethyl)-1,2-oxazole (PubChem CID 159003796) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,2-oxazole
PubChem CID159003796
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name3-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESFC(F)(F)Cc1ccon1
InChIInChI=1S/C5H4F3NO/c6-5(7,8)3-4-1-2-10-9-4/h1-2H,3H2
InChIKeyJRQYHEBAMCAWLG-UHFFFAOYSA-N
XLogP1.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2,2-trifluoroethyl)-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-(2,2,2-trifluoroethyl)-1,2-oxazole?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,2-oxazole (CID 159003796) is 3-(2,2,2-trifluoroethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,2-oxazole?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,2-oxazole is FC(F)(F)Cc1ccon1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,2-oxazole?
The InChIKey is JRQYHEBAMCAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c6-5(7,8)3-4-1-2-10-9-4/h1-2H,3H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,2-oxazole?
3-(2,2,2-trifluoroethyl)-1,2-oxazole has a molecular weight of 151.09 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,2-oxazole is sourced from PubChem (CID 159003796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).