2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole

C18H15N5O — CID 17014838

IUPAC2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nnn(-c4ccccc4)c3C)o2)cc1
InChIInChI=1S/C18H15N5O/c1-12-8-10-14(11-9-12)17-20-21-18(24-17)16-13(2)23(22-19-16)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeySOMWNCHPVLZQKN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole

2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole (PubChem CID 17014838) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
PubChem CID17014838
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nnn(-c4ccccc4)c3C)o2)cc1
InChIInChI=1S/C18H15N5O/c1-12-8-10-14(11-9-12)17-20-21-18(24-17)16-13(2)23(22-19-16)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeySOMWNCHPVLZQKN-UHFFFAOYSA-N
XLogP3.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole (CID 17014838) is 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3nnn(-c4ccccc4)c3C)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is SOMWNCHPVLZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-8-10-14(11-9-12)17-20-21-18(24-17)16-13(2)23(22-19-16)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 17014838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).