3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C16H12F3N3O — CID 71143145

IUPAC3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3ccc(C)c(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C16H12F3N3O/c1-9-3-4-12(8-13(9)16(17,18)19)15-21-14(22-23-15)11-5-6-20-10(2)7-11/h3-8H,1-2H3
InChIKeyJNOYUKQUWRJQQO-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.43
Rot. Bonds2

About 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 71143145) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID71143145
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(-c3ccc(C)c(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C16H12F3N3O/c1-9-3-4-12(8-13(9)16(17,18)19)15-21-14(22-23-15)11-5-6-20-10(2)7-11/h3-8H,1-2H3
InChIKeyJNOYUKQUWRJQQO-UHFFFAOYSA-N
XLogP4.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 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-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 71143145) is 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1cc(-c2noc(-c3ccc(C)c(C(F)(F)F)c3)n2)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is JNOYUKQUWRJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-9-3-4-12(8-13(9)16(17,18)19)15-21-14(22-23-15)11-5-6-20-10(2)7-11/h3-8H,1-2H3.
What are the key properties of 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 319.29 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71143145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).