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

C28H19N5O — CID 58692863

IUPAC2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C28H19N5O/c1-4-10-20(11-5-1)25-29-30-26(33(25)24-14-8-3-9-15-24)21-16-18-23(19-17-21)28-32-31-27(34-28)22-12-6-2-7-13-22/h1-19H
InChIKeyICVRMAPETUQKIA-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.32
Rot. Bonds5

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

2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 58692863) has the molecular formula C28H19N5O and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID58692863
Molecular FormulaC28H19N5O
Molecular Weight441.49 g/mol
Exact Mass441.16
IUPAC Name2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C28H19N5O/c1-4-10-20(11-5-1)25-29-30-26(33(25)24-14-8-3-9-15-24)21-16-18-23(19-17-21)28-32-31-27(34-28)22-12-6-2-7-13-22/h1-19H
InChIKeyICVRMAPETUQKIA-UHFFFAOYSA-N
XLogP6.32
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 58692863) is 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccccc5)n4-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ICVRMAPETUQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O/c1-4-10-20(11-5-1)25-29-30-26(33(25)24-14-8-3-9-15-24)21-16-18-23(19-17-21)28-32-31-27(34-28)22-12-6-2-7-13-22/h1-19H.
What are the key properties of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 441.49 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 58692863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).