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

C23H17N5O — CID 3887018

IUPAC2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C23H17N5O/c1-4-10-17(11-5-1)21-24-22(18-12-6-2-7-13-18)28(27-21)16-20-25-26-23(29-20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyGALSEJVBRFQDGU-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.71
Rot. Bonds5

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

2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 3887018) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID3887018
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C23H17N5O/c1-4-10-17(11-5-1)21-24-22(18-12-6-2-7-13-18)28(27-21)16-20-25-26-23(29-20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyGALSEJVBRFQDGU-UHFFFAOYSA-N
XLogP4.71
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 3887018) is 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccccc3)n(Cc3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GALSEJVBRFQDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-4-10-17(11-5-1)21-24-22(18-12-6-2-7-13-18)28(27-21)16-20-25-26-23(29-20)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 379.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diphenyl-1,2,4-triazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 3887018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).