4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole

C6H6F3NO — CID 14639803

IUPAC4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C
InChIInChI=1S/C6H6F3NO/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3
InChIKeyLJTKQNQTVFZQFT-UHFFFAOYSA-N
MW165.11 g/mol
LogP2.31
Rot. Bonds

About 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole

4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 14639803) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID14639803
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1C
InChIInChI=1S/C6H6F3NO/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3
InChIKeyLJTKQNQTVFZQFT-UHFFFAOYSA-N
XLogP2.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2-(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 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole (CID 14639803) is 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LJTKQNQTVFZQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-3-4(2)11-5(10-3)6(7,8)9/h1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole?
4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 165.11 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 14639803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).