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

C19H19N3O3S — CID 30863595

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

2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 30863595) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 30863595
• Molecular Formula: C19H19N3O3S
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.11
• IUPAC Name: 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
• SMILES: O=C(COc1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1
• InChI: InChI=1S/C19H19N3O3S/c23-17(13-24-15-7-2-1-3-8-15)22-10-4-6-14(12-22)18-20-21-19(25-18)16-9-5-11-26-16/h1-3,5,7-9,11,14H,4,6,10,12-13H2/t14-/m0/s1
• InChIKey: UXDYLLBLZVQFME-AWEZNQCLSA-N
• XLogP: 3.58
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 30863595) is 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1.

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

The InChIKey is UXDYLLBLZVQFME-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(13-24-15-7-2-1-3-8-15)22-10-4-6-14(12-22)18-20-21-19(25-18)16-9-5-11-26-16/h1-3,5,7-9,11,14H,4,6,10,12-13H2/t14-/m0/s1.

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

2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 369.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenoxy-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 30863595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).