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

C24H22N2O — CID 54168417

IUPAC5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole
SMILESCCCCc1ccccc1-c1onnc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C24H22N2O/c1-2-3-11-19-14-7-8-16-21(19)24-23(25-26-27-24)22-17-10-9-15-20(22)18-12-5-4-6-13-18/h4-10,12-17H,2-3,11H2,1H3
InChIKeyOTHJFWGZSJBKSZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.41
Rot. Bonds6

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

5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole (PubChem CID 54168417) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole.

Molecular Properties

Compound Name5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole
PubChem CID54168417
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole
SMILESCCCCc1ccccc1-c1onnc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C24H22N2O/c1-2-3-11-19-14-7-8-16-21(19)24-23(25-26-27-24)22-17-10-9-15-20(22)18-12-5-4-6-13-18/h4-10,12-17H,2-3,11H2,1H3
InChIKeyOTHJFWGZSJBKSZ-UHFFFAOYSA-N
XLogP6.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole?
The IUPAC name of 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole (CID 54168417) is 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole.
What is the SMILES notation for 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole?
The canonical SMILES for 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole is CCCCc1ccccc1-c1onnc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole?
The InChIKey is OTHJFWGZSJBKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-2-3-11-19-14-7-8-16-21(19)24-23(25-26-27-24)22-17-10-9-15-20(22)18-12-5-4-6-13-18/h4-10,12-17H,2-3,11H2,1H3.
What are the key properties of 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole?
5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole has a molecular weight of 354.45 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butylphenyl)-4-(2-phenylphenyl)oxadiazole is sourced from PubChem (CID 54168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).