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

C28H21N5O — CID 70992965

IUPAC2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESC1=CCC(c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)n2-c2ccccc2)C=C1
InChIInChI=1S/C28H21N5O/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/h1-10,12-20H,11H2
InChIKeyFVEUFHLPHCFVOL-UHFFFAOYSA-N
MW443.51 g/mol
LogP6.25
Rot. Bonds5

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

2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 70992965) has the molecular formula C28H21N5O and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID70992965
Molecular FormulaC28H21N5O
Molecular Weight443.51 g/mol
Exact Mass443.17
IUPAC Name2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESC1=CCC(c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)n2-c2ccccc2)C=C1
InChIInChI=1S/C28H21N5O/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/h1-10,12-20H,11H2
InChIKeyFVEUFHLPHCFVOL-UHFFFAOYSA-N
XLogP6.25
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 70992965) is 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is C1=CCC(c2nnc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)n2-c2ccccc2)C=C1.
What is the InChIKey of 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FVEUFHLPHCFVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O/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/h1-10,12-20H,11H2.
What are the key properties of 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 443.51 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 70992965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).