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

C18H15N5O — CID 17015681

IUPAC2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2nnn(-c3ccccc3)c2C)o1
InChIInChI=1S/C18H15N5O/c1-12-8-6-7-11-15(12)17-20-21-18(24-17)16-13(2)23(22-19-16)14-9-4-3-5-10-14/h3-11H,1-2H3
InChIKeyOOXPMGRKYDVDNB-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.60
Rot. Bonds3

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

2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole (PubChem CID 17015681) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
PubChem CID17015681
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2nnn(-c3ccccc3)c2C)o1
InChIInChI=1S/C18H15N5O/c1-12-8-6-7-11-15(12)17-20-21-18(24-17)16-13(2)23(22-19-16)14-9-4-3-5-10-14/h3-11H,1-2H3
InChIKeyOOXPMGRKYDVDNB-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

CID 2814094
CID 2814094
CID 17014844
CID 17014844
CID 17014847
CID 17014847
CID 17720024
CID 17720024
CID 17014838
CID 17014838
CID 17014889
CID 17014889
CID 29140446
CID 29140446
CID 53318034
CID 53318034
CID 53318035
CID 53318035
CID 72946868
CID 72946868
CID 17014833
CID 17014833
CID 17015210
CID 17015210

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole (CID 17015681) is 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(-c2nnn(-c3ccccc3)c2C)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is OOXPMGRKYDVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-8-6-7-11-15(12)17-20-21-18(24-17)16-13(2)23(22-19-16)14-9-4-3-5-10-14/h3-11H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole?
2-(2-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-(2-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 17015681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).