2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole

C20H20FN3O3S — CID 20867421

IUPAC2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c1
InChIInChI=1S/C20H20FN3O3S/c1-14-3-2-4-16(13-14)20-23-22-19(27-20)15-9-11-24(12-10-15)28(25,26)18-7-5-17(21)6-8-18/h2-8,13,15H,9-12H2,1H3
InChIKeyZGIFCZFXIOROJN-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.75
Rot. Bonds4

About 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole

2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 20867421) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID20867421
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c1
InChIInChI=1S/C20H20FN3O3S/c1-14-3-2-4-16(13-14)20-23-22-19(27-20)15-9-11-24(12-10-15)28(25,26)18-7-5-17(21)6-8-18/h2-8,13,15H,9-12H2,1H3
InChIKeyZGIFCZFXIOROJN-UHFFFAOYSA-N
XLogP3.75
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-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 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 20867421) is 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is ZGIFCZFXIOROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-14-3-2-4-16(13-14)20-23-22-19(27-20)15-9-11-24(12-10-15)28(25,26)18-7-5-17(21)6-8-18/h2-8,13,15H,9-12H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 401.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 20867421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).