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

C23H21N3O3S — CID 121114633

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

2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 121114633) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 121114633
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
• SMILES: O=C(COc1ccc2ccccc2c1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
• InChI: InChI=1S/C23H21N3O3S/c27-21(14-28-20-8-7-16-4-1-2-5-17(16)12-20)26-10-3-6-18(13-26)22-24-25-23(29-22)19-9-11-30-15-19/h1-2,4-5,7-9,11-12,15,18H,3,6,10,13-14H2
• InChIKey: JMXHJPMJDUAZJW-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 121114633) is 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CCCC(c2nnc(-c3ccsc3)o2)C1.

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

The InChIKey is JMXHJPMJDUAZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-21(14-28-20-8-7-16-4-1-2-5-17(16)12-20)26-10-3-6-18(13-26)22-24-25-23(29-22)19-9-11-30-15-19/h1-2,4-5,7-9,11-12,15,18H,3,6,10,13-14H2.

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

2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 419.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yloxy-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121114633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).