3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole

C26H20FN3O3S — CID 142959363

IUPAC3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole
SMILESCC(c1cc(-c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C26H20FN3O3S/c1-16(34(2,31)32)21-14-19-7-4-12-28-24(19)23(15-21)18-5-3-6-20(13-18)26-29-25(30-33-26)17-8-10-22(27)11-9-17/h3-16H,1-2H3
InChIKeyVFCSLTMOROEEQM-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.86
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 142959363) has the molecular formula C26H20FN3O3S and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole
PubChem CID142959363
Molecular FormulaC26H20FN3O3S
Molecular Weight473.53 g/mol
Exact Mass473.12
IUPAC Name3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole
SMILESCC(c1cc(-c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)c2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C26H20FN3O3S/c1-16(34(2,31)32)21-14-19-7-4-12-28-24(19)23(15-21)18-5-3-6-20(13-18)26-29-25(30-33-26)17-8-10-22(27)11-9-17/h3-16H,1-2H3
InChIKeyVFCSLTMOROEEQM-UHFFFAOYSA-N
XLogP5.86
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-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 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole (CID 142959363) is 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole is CC(c1cc(-c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)c2ncccc2c1)S(C)(=O)=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is VFCSLTMOROEEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3S/c1-16(34(2,31)32)21-14-19-7-4-12-28-24(19)23(15-21)18-5-3-6-20(13-18)26-29-25(30-33-26)17-8-10-22(27)11-9-17/h3-16H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 473.53 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[3-[6-(1-methylsulfonylethyl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 142959363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).