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

C22H19N3O2S — CID 121068822

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

naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121068822) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 121068822
• Molecular Formula: C22H19N3O2S
• Molecular Weight: 389.48 g/mol
• Exact Mass: 389.12
• IUPAC Name: naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2ccccc2c1)N1CCCC(c2nnc(-c3cccs3)o2)C1
• InChI: InChI=1S/C22H19N3O2S/c26-22(17-10-9-15-5-1-2-6-16(15)13-17)25-11-3-7-18(14-25)20-23-24-21(27-20)19-8-4-12-28-19/h1-2,4-6,8-10,12-13,18H,3,7,11,14H2
• InChIKey: QGYZPCBCNUQRTR-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.48
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121068822) is naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc2ccccc2c1)N1CCCC(c2nnc(-c3cccs3)o2)C1.

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

The InChIKey is QGYZPCBCNUQRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-22(17-10-9-15-5-1-2-6-16(15)13-17)25-11-3-7-18(14-25)20-23-24-21(27-20)19-8-4-12-28-19/h1-2,4-6,8-10,12-13,18H,3,7,11,14H2.

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

naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 389.48 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121068822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).