3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole

C14H10F3N3O — CID 141098461

IUPAC3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2cc(Cn3cccn3)no2)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)11-4-2-10(3-5-11)13-8-12(19-21-13)9-20-7-1-6-18-20/h1-8H,9H2
InChIKeyZNZHQJMDOMYFEB-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.61
Rot. Bonds3

About 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole

3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 141098461) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID141098461
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2cc(Cn3cccn3)no2)cc1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)11-4-2-10(3-5-11)13-8-12(19-21-13)9-20-7-1-6-18-20/h1-8H,9H2
InChIKeyZNZHQJMDOMYFEB-UHFFFAOYSA-N
XLogP3.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-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-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 141098461) is 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole is FC(F)(F)c1ccc(-c2cc(Cn3cccn3)no2)cc1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is ZNZHQJMDOMYFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)11-4-2-10(3-5-11)13-8-12(19-21-13)9-20-7-1-6-18-20/h1-8H,9H2.
What are the key properties of 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 293.25 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 141098461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).