5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile

C15H7F3N4O2 — CID 18921388

IUPAC5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile
SMILESN#Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H7F3N4O2/c16-15(17,18)9-3-1-4-10(7-9)23-12-6-2-5-11(20-12)14-22-21-13(8-19)24-14/h1-7H
InChIKeyFELGJPLTDAQWKQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.81
Rot. Bonds3

About 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile

5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile (PubChem CID 18921388) has the molecular formula C15H7F3N4O2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile.

Molecular Properties

Compound Name5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile
PubChem CID18921388
Molecular FormulaC15H7F3N4O2
Molecular Weight332.24 g/mol
Exact Mass332.05
IUPAC Name5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile
SMILESN#Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H7F3N4O2/c16-15(17,18)9-3-1-4-10(7-9)23-12-6-2-5-11(20-12)14-22-21-13(8-19)24-14/h1-7H
InChIKeyFELGJPLTDAQWKQ-UHFFFAOYSA-N
XLogP3.81
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile 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-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile?
The IUPAC name of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile (CID 18921388) is 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile.
What is the SMILES notation for 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile?
The canonical SMILES for 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile is N#Cc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile?
The InChIKey is FELGJPLTDAQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N4O2/c16-15(17,18)9-3-1-4-10(7-9)23-12-6-2-5-11(20-12)14-22-21-13(8-19)24-14/h1-7H.
What are the key properties of 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile?
5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile has a molecular weight of 332.24 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole-2-carbonitrile is sourced from PubChem (CID 18921388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).