2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C19H18FN3O3S — CID 92573098

About 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 92573098) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 92573098
• Molecular Formula: C19H18FN3O3S
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.11
• IUPAC Name: 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
• SMILES: O=C(COc1ccccc1F)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1
• InChI: InChI=1S/C19H18FN3O3S/c20-15-5-1-2-6-16(15)25-11-17(24)23-8-3-4-13(10-23)18-21-22-19(26-18)14-7-9-27-12-14/h1-2,5-7,9,12-13H,3-4,8,10-11H2/t13-/m0/s1
• InChIKey: OZDPILDIGUDGOV-ZDUSSCGKSA-N
• XLogP: 3.72
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 92573098) is 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1.

What is the InChIKey of 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?

The InChIKey is OZDPILDIGUDGOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-15-5-1-2-6-16(15)25-11-17(24)23-8-3-4-13(10-23)18-21-22-19(26-18)14-7-9-27-12-14/h1-2,5-7,9,12-13H,3-4,8,10-11H2/t13-/m0/s1.

What are the key properties of 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?

2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 387.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92573098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).