3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C18H19N3O2S — CID 69053732

About 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 69053732) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

• Compound Name: 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• PubChem CID: 69053732
• Molecular Formula: C18H19N3O2S
• Molecular Weight: 341.44 g/mol
• Exact Mass: 341.12
• IUPAC Name: 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• SMILES: O=C1OC2(CN3CCC2CC3)CN1c1csc(-c2cccnc2)c1
• InChI: InChI=1S/C18H19N3O2S/c22-17-21(12-18(23-17)11-20-6-3-14(18)4-7-20)15-8-16(24-10-15)13-2-1-5-19-9-13/h1-2,5,8-10,14H,3-4,6-7,11-12H2
• InChIKey: SNNGVFJTWGBXMS-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.44
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?

The IUPAC name of 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 69053732) is 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

What is the SMILES notation for 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?

The canonical SMILES for 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1OC2(CN3CCC2CC3)CN1c1csc(-c2cccnc2)c1.

What is the InChIKey of 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?

The InChIKey is SNNGVFJTWGBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17-21(12-18(23-17)11-20-6-3-14(18)4-7-20)15-8-16(24-10-15)13-2-1-5-19-9-13/h1-2,5,8-10,14H,3-4,6-7,11-12H2.

What are the key properties of 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?

3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 341.44 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 69053732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).