2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C19H17N5O — CID 17014833

IUPAC2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nnn(-c4ccc(C)cc4)c3C)o2)cc1
InChIInChI=1S/C19H17N5O/c1-12-4-8-15(9-5-12)18-21-22-19(25-18)17-14(3)24(23-20-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3
InChIKeyALIDFMCUNYUNDT-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.91
Rot. Bonds3

About 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 17014833) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID17014833
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nnn(-c4ccc(C)cc4)c3C)o2)cc1
InChIInChI=1S/C19H17N5O/c1-12-4-8-15(9-5-12)18-21-22-19(25-18)17-14(3)24(23-20-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3
InChIKeyALIDFMCUNYUNDT-UHFFFAOYSA-N
XLogP3.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-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 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 17014833) is 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3nnn(-c4ccc(C)cc4)c3C)o2)cc1.
What is the InChIKey of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is ALIDFMCUNYUNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-4-8-15(9-5-12)18-21-22-19(25-18)17-14(3)24(23-20-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3.
What are the key properties of 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 17014833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).