5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C18H14FN5O — CID 20937970

IUPAC5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3C)n2)cc1
InChIInChI=1S/C18H14FN5O/c1-11-7-9-13(10-8-11)17-20-18(25-22-17)16-12(2)24(23-21-16)15-6-4-3-5-14(15)19/h3-10H,1-2H3
InChIKeyPWWHSQPTCRLFFM-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.74
Rot. Bonds3

About 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 20937970) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID20937970
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3C)n2)cc1
InChIInChI=1S/C18H14FN5O/c1-11-7-9-13(10-8-11)17-20-18(25-22-17)16-12(2)24(23-21-16)15-6-4-3-5-14(15)19/h3-10H,1-2H3
InChIKeyPWWHSQPTCRLFFM-UHFFFAOYSA-N
XLogP3.74
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-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 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 20937970) is 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3C)n2)cc1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PWWHSQPTCRLFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-7-9-13(10-8-11)17-20-18(25-22-17)16-12(2)24(23-21-16)15-6-4-3-5-14(15)19/h3-10H,1-2H3.
What are the key properties of 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 335.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 20937970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).