5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole

C24H24N2O — CID 70140730

IUPAC5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)CO2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)21-13-9-20(10-14-21)23-25-26(17-27-23)22-15-11-19(12-16-22)18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChIKeyPJWSEXDWZPEKOS-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.81
Rot. Bonds3

About 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole

5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole (PubChem CID 70140730) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
PubChem CID70140730
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)CO2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)21-13-9-20(10-14-21)23-25-26(17-27-23)22-15-11-19(12-16-22)18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChIKeyPJWSEXDWZPEKOS-UHFFFAOYSA-N
XLogP5.81
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-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 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole (CID 70140730) is 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole is CC(C)(C)c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)CO2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
The InChIKey is PJWSEXDWZPEKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-24(2,3)21-13-9-20(10-14-21)23-25-26(17-27-23)22-15-11-19(12-16-22)18-7-5-4-6-8-18/h4-16H,17H2,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole?
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole has a molecular weight of 356.47 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole is sourced from PubChem (CID 70140730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).