1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

C24H26FN3O2S — CID 121069478

About 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone (PubChem CID 121069478) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
• PubChem CID: 121069478
• Molecular Formula: C24H26FN3O2S
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.17
• IUPAC Name: 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
• SMILES: CC(C)Sc1ccc(CC(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)cc1
• InChI: InChI=1S/C24H26FN3O2S/c1-16(2)31-21-11-5-17(6-12-21)14-22(29)28-13-3-4-19(15-28)24-27-26-23(30-24)18-7-9-20(25)10-8-18/h5-12,16,19H,3-4,13-15H2,1-2H3
• InChIKey: WFLAQAMIIHCWMM-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?

The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone (CID 121069478) is 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone.

What is the SMILES notation for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?

The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone is CC(C)Sc1ccc(CC(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)cc1.

What is the InChIKey of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?

The InChIKey is WFLAQAMIIHCWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-16(2)31-21-11-5-17(6-12-21)14-22(29)28-13-3-4-19(15-28)24-27-26-23(30-24)18-7-9-20(25)10-8-18/h5-12,16,19H,3-4,13-15H2,1-2H3.

What are the key properties of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone?

1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone has a molecular weight of 439.56 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone is sourced from PubChem (CID 121069478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).