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

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Related Compounds

5-(difluoromethyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
CID 175847483
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
3-(4-tert-butylphenyl)-1-(4-phenylphenyl)-1,2,4-triazole
CID 141231494
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
3-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-2H-1,3,4-oxadiazole
CID 173054294
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
4-(4-tert-butylphenyl)-5-phenyl-1-(4-phenylphenyl)triazole
CID 67378200
(5S)-3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazolidine
CID 59119005
1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
CID 174793677
3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole
CID 102414963
5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine
CID 174950429

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).