3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C12H12F3NO — CID 134478606

IUPAC3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NOC(C(F)(F)F)C2)cc1C
InChIInChI=1S/C12H12F3NO/c1-7-3-4-9(5-8(7)2)10-6-11(17-16-10)12(13,14)15/h3-5,11H,6H2,1-2H3
InChIKeyFDKJPUVMJKCGGG-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.36
Rot. Bonds1

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

3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 134478606) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID134478606
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NOC(C(F)(F)F)C2)cc1C
InChIInChI=1S/C12H12F3NO/c1-7-3-4-9(5-8(7)2)10-6-11(17-16-10)12(13,14)15/h3-5,11H,6H2,1-2H3
InChIKeyFDKJPUVMJKCGGG-UHFFFAOYSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-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-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 134478606) is 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C2=NOC(C(F)(F)F)C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is FDKJPUVMJKCGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7-3-4-9(5-8(7)2)10-6-11(17-16-10)12(13,14)15/h3-5,11H,6H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 243.23 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 134478606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).