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

C24H22N2O — CID 22169027

IUPAC2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccccc3-c3ccccc3)o2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)19-15-13-18(14-16-19)22-25-26-23(27-22)21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyPXMXBAVBERHHTA-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.37
Rot. Bonds3

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

2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 22169027) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole
PubChem CID22169027
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccccc3-c3ccccc3)o2)cc1
InChIInChI=1S/C24H22N2O/c1-24(2,3)19-15-13-18(14-16-19)22-25-26-23(27-22)21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyPXMXBAVBERHHTA-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 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole (CID 22169027) is 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3ccccc3-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is PXMXBAVBERHHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-24(2,3)19-15-13-18(14-16-19)22-25-26-23(27-22)21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-16H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-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 2-(4-tert-butylphenyl)-5-(2-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22169027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).