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

C17H18N2O3S — CID 69053972

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

3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 69053972) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

• Compound Name: 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• PubChem CID: 69053972
• Molecular Formula: C17H18N2O3S
• Molecular Weight: 330.41 g/mol
• Exact Mass: 330.10
• IUPAC Name: 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• SMILES: O=C1OC2(CN3CCC2CC3)CN1c1coc(-c2cccs2)c1
• InChI: InChI=1S/C17H18N2O3S/c20-16-19(13-8-14(21-9-13)15-2-1-7-23-15)11-17(22-16)10-18-5-3-12(17)4-6-18/h1-2,7-9,12H,3-6,10-11H2
• InChIKey: OXGSXHYIHDSUPE-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 45.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.41
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 69053972) is 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

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

The canonical SMILES for 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1OC2(CN3CCC2CC3)CN1c1coc(-c2cccs2)c1.

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

The InChIKey is OXGSXHYIHDSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16-19(13-8-14(21-9-13)15-2-1-7-23-15)11-17(22-16)10-18-5-3-12(17)4-6-18/h1-2,7-9,12H,3-6,10-11H2.

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

3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 330.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-thiophen-2-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 69053972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).