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

C23H17F3N2O2 — CID 25256285

IUPAC3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)n1
InChIInChI=1S/C23H17F3N2O2/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)23(24,25)26)22-27-21(28-30-22)18-8-4-6-10-20(18)29-2/h3-13H,1-2H3
InChIKeyCTERYSQVCFBBAT-UHFFFAOYSA-N
MW410.40 g/mol
LogP6.41
Rot. Bonds4

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

3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole (PubChem CID 25256285) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole
PubChem CID25256285
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Name3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)n1
InChIInChI=1S/C23H17F3N2O2/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)23(24,25)26)22-27-21(28-30-22)18-8-4-6-10-20(18)29-2/h3-13H,1-2H3
InChIKeyCTERYSQVCFBBAT-UHFFFAOYSA-N
XLogP6.41
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]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-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole (CID 25256285) is 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C(F)(F)F)c(C)c2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is CTERYSQVCFBBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-14-13-15(11-12-16(14)17-7-3-5-9-19(17)23(24,25)26)22-27-21(28-30-22)18-8-4-6-10-20(18)29-2/h3-13H,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 410.40 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[3-methyl-4-[2-(trifluoromethyl)phenyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25256285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).