2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole

C8H6F3N3O — CID 169163136

IUPAC2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCn1ccc(-c2nc(C(F)(F)F)co2)n1
InChIInChI=1S/C8H6F3N3O/c1-14-3-2-5(13-14)7-12-6(4-15-7)8(9,10)11/h2-4H,1H3
InChIKeyYBDUHTZKEHRZTE-UHFFFAOYSA-N
MW217.15 g/mol
LogP2.09
Rot. Bonds1

About 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole

2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 169163136) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID169163136
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCn1ccc(-c2nc(C(F)(F)F)co2)n1
InChIInChI=1S/C8H6F3N3O/c1-14-3-2-5(13-14)7-12-6(4-15-7)8(9,10)11/h2-4H,1H3
InChIKeyYBDUHTZKEHRZTE-UHFFFAOYSA-N
XLogP2.09
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-3-yl)-4-(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 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole (CID 169163136) is 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole is Cn1ccc(-c2nc(C(F)(F)F)co2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is YBDUHTZKEHRZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-14-3-2-5(13-14)7-12-6(4-15-7)8(9,10)11/h2-4H,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 217.15 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 169163136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).