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

C24H22N2O — CID 22134303

IUPAC5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-25-22(26-27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKeyCSUDUXFFWKUVTI-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.37
Rot. Bonds3

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

5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 22134303) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
PubChem CID22134303
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-25-22(26-27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKeyCSUDUXFFWKUVTI-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole (CID 22134303) is 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole is CC(C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is CSUDUXFFWKUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-25-22(26-27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole?
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-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-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 22134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).