5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C24H22FN3O — CID 70928035

IUPAC5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCCc1ccc(-c2cc(CF)cc(-c3nc(-c4ccncc4)no3)c2)cc1
InChIInChI=1S/C24H22FN3O/c1-2-3-4-17-5-7-19(8-6-17)21-13-18(16-25)14-22(15-21)24-27-23(28-29-24)20-9-11-26-12-10-20/h5-15H,2-4,16H2,1H3
InChIKeyHWWHKYZKDHNABX-UHFFFAOYSA-N
MW387.46 g/mol
LogP6.28
Rot. Bonds7

About 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 70928035) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID70928035
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCCc1ccc(-c2cc(CF)cc(-c3nc(-c4ccncc4)no3)c2)cc1
InChIInChI=1S/C24H22FN3O/c1-2-3-4-17-5-7-19(8-6-17)21-13-18(16-25)14-22(15-21)24-27-23(28-29-24)20-9-11-26-12-10-20/h5-15H,2-4,16H2,1H3
InChIKeyHWWHKYZKDHNABX-UHFFFAOYSA-N
XLogP6.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 70928035) is 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCCCc1ccc(-c2cc(CF)cc(-c3nc(-c4ccncc4)no3)c2)cc1.
What is the InChIKey of 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is HWWHKYZKDHNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-2-3-4-17-5-7-19(8-6-17)21-13-18(16-25)14-22(15-21)24-27-23(28-29-24)20-9-11-26-12-10-20/h5-15H,2-4,16H2,1H3.
What are the key properties of 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 387.46 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-butylphenyl)-5-(fluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 70928035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).