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

C16H22N2O3 — CID 142084309

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

(5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 142084309) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

• Compound Name: (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• PubChem CID: 142084309
• Molecular Formula: C16H22N2O3
• Molecular Weight: 290.36 g/mol
• Exact Mass: 290.16
• IUPAC Name: (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• SMILES: CC(C)c1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)o1
• InChI: InChI=1S/C16H22N2O3/c1-11(2)13-3-4-14(20-13)18-10-16(21-15(18)19)9-17-7-5-12(16)6-8-17/h3-4,11-12H,5-10H2,1-2H3/t16-/m1/s1
• InChIKey: LAYHTPPRBIJGIV-MRXNPFEDSA-N
• XLogP: 2.82
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.36
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 142084309) is (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

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

The canonical SMILES for (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is CC(C)c1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)o1.

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

The InChIKey is LAYHTPPRBIJGIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)13-3-4-14(20-13)18-10-16(21-15(18)19)9-17-7-5-12(16)6-8-17/h3-4,11-12H,5-10H2,1-2H3/t16-/m1/s1.

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

(5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(5-propan-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 142084309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).