4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole

C24H21FN2O — CID 69173732

IUPAC4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole
SMILESFCCCCc1ccccc1-c1nnoc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21FN2O/c25-17-7-6-11-20-10-4-5-12-22(20)23-24(28-27-26-23)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
InChIKeyLPKCYURQSCNDJR-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.36
Rot. Bonds7

About 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole

4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole (PubChem CID 69173732) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole.

Molecular Properties

Compound Name4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole
PubChem CID69173732
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole
SMILESFCCCCc1ccccc1-c1nnoc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21FN2O/c25-17-7-6-11-20-10-4-5-12-22(20)23-24(28-27-26-23)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
InChIKeyLPKCYURQSCNDJR-UHFFFAOYSA-N
XLogP6.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole?
The IUPAC name of 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole (CID 69173732) is 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole.
What is the SMILES notation for 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole?
The canonical SMILES for 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole is FCCCCc1ccccc1-c1nnoc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole?
The InChIKey is LPKCYURQSCNDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-17-7-6-11-20-10-4-5-12-22(20)23-24(28-27-26-23)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2.
What are the key properties of 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole?
4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole has a molecular weight of 372.44 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole is sourced from PubChem (CID 69173732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).