5-fluoro-4-(trifluoromethyl)-1,3-oxazole

C4HF4NO — CID 86096630

IUPAC5-fluoro-4-(trifluoromethyl)-1,3-oxazole
SMILESFc1ocnc1C(F)(F)F
InChIInChI=1S/C4HF4NO/c5-3-2(4(6,7)8)9-1-10-3/h1H
InChIKeyMIYBLJPBDMYBMS-UHFFFAOYSA-N
MW155.05 g/mol
LogP1.83
Rot. Bonds

About 5-fluoro-4-(trifluoromethyl)-1,3-oxazole

5-fluoro-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 86096630) has the molecular formula C4HF4NO and a molecular weight of 155.05 g/mol. Its IUPAC name is 5-fluoro-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-fluoro-4-(trifluoromethyl)-1,3-oxazole
PubChem CID86096630
Molecular FormulaC4HF4NO
Molecular Weight155.05 g/mol
Exact Mass155.00
IUPAC Name5-fluoro-4-(trifluoromethyl)-1,3-oxazole
SMILESFc1ocnc1C(F)(F)F
InChIInChI=1S/C4HF4NO/c5-3-2(4(6,7)8)9-1-10-3/h1H
InChIKeyMIYBLJPBDMYBMS-UHFFFAOYSA-N
XLogP1.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-4-(trifluoromethyl)-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-fluoro-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-fluoro-4-(trifluoromethyl)-1,3-oxazole (CID 86096630) is 5-fluoro-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-fluoro-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-fluoro-4-(trifluoromethyl)-1,3-oxazole is Fc1ocnc1C(F)(F)F.
What is the InChIKey of 5-fluoro-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is MIYBLJPBDMYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF4NO/c5-3-2(4(6,7)8)9-1-10-3/h1H.
What are the key properties of 5-fluoro-4-(trifluoromethyl)-1,3-oxazole?
5-fluoro-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 155.05 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 86096630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).