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

C6H8F3NO — CID 151579195

IUPAC3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole
SMILESCC1=NOCC1(C)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4-5(2,3-11-10-4)6(7,8)9/h3H2,1-2H3
InChIKeyQGCQEANXIPJYMT-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.96
Rot. Bonds

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

3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole (PubChem CID 151579195) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole
PubChem CID151579195
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole
SMILESCC1=NOCC1(C)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4-5(2,3-11-10-4)6(7,8)9/h3H2,1-2H3
InChIKeyQGCQEANXIPJYMT-UHFFFAOYSA-N
XLogP1.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-4-(trifluoromethyl)-5H-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 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole (CID 151579195) is 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole is CC1=NOCC1(C)C(F)(F)F.
What is the InChIKey of 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole?
The InChIKey is QGCQEANXIPJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4-5(2,3-11-10-4)6(7,8)9/h3H2,1-2H3.
What are the key properties of 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole?
3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole has a molecular weight of 167.13 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole is sourced from PubChem (CID 151579195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).