5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole

C11H10F3NO — CID 58463999

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cccc(C(F)(F)F)c2)=NO1
InChIInChI=1S/C11H10F3NO/c1-7-5-10(15-16-7)8-3-2-4-9(6-8)11(12,13)14/h2-4,6-7H,5H2,1H3
InChIKeyUUZOIXZHDGZVHD-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.22
Rot. Bonds1

About 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole

5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 58463999) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID58463999
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cccc(C(F)(F)F)c2)=NO1
InChIInChI=1S/C11H10F3NO/c1-7-5-10(15-16-7)8-3-2-4-9(6-8)11(12,13)14/h2-4,6-7H,5H2,1H3
InChIKeyUUZOIXZHDGZVHD-UHFFFAOYSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-[3-(trifluoromethyl)phenyl]-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 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 58463999) is 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is CC1CC(c2cccc(C(F)(F)F)c2)=NO1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is UUZOIXZHDGZVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-5-10(15-16-7)8-3-2-4-9(6-8)11(12,13)14/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 229.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58463999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).