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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Related Compounds

3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
3-(4-tert-butylphenyl)-5-[2-[(S)-methylsulfinyl]phenyl]-1,2,4-oxadiazole
CID 40521783
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25110336
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353

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).