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

C18H15N5O — CID 17015661

IUPAC3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C18H15N5O/c1-12-8-10-14(11-9-12)17-19-18(24-21-17)16-13(2)23(22-20-16)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyBVRWJPBWTKFTAY-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds3

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

3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 17015661) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID17015661
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C18H15N5O/c1-12-8-10-14(11-9-12)17-19-18(24-21-17)16-13(2)23(22-20-16)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyBVRWJPBWTKFTAY-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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Related Compounds

5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
5-(4-fluorophenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170069
4-[3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53170084
5-(2-methoxyphenyl)-3-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 53170080
5-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 18592001
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18592225
5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 53170093
5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
5-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 16804761

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole (CID 17015661) is 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3nnn(-c4ccccc4)c3C)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is BVRWJPBWTKFTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-8-10-14(11-9-12)17-19-18(24-21-17)16-13(2)23(22-20-16)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-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 3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 17015661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).