5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole

C24H22N2O — CID 22731611

IUPAC5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole
SMILESCC(C)(C)c1ccccc1-c1onnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)21-12-8-7-11-20(21)23-22(25-26-27-23)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyDDGKXTYDUSMING-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.37
Rot. Bonds3

About 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole

5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole (PubChem CID 22731611) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole.

Molecular Properties

Compound Name5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole
PubChem CID22731611
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole
SMILESCC(C)(C)c1ccccc1-c1onnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)21-12-8-7-11-20(21)23-22(25-26-27-23)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyDDGKXTYDUSMING-UHFFFAOYSA-N
XLogP6.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)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-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole?
The IUPAC name of 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole (CID 22731611) is 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole.
What is the SMILES notation for 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole?
The canonical SMILES for 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole is CC(C)(C)c1ccccc1-c1onnc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole?
The InChIKey is DDGKXTYDUSMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-24(2,3)21-12-8-7-11-20(21)23-22(25-26-27-23)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16H,1-3H3.
What are the key properties of 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole?
5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole has a molecular weight of 354.45 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole is sourced from PubChem (CID 22731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).