2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C19H22N2O4 — CID 97419778

About 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 97419778) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
• PubChem CID: 97419778
• Molecular Formula: C19H22N2O4
• Molecular Weight: 342.39 g/mol
• Exact Mass: 342.16
• IUPAC Name: 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
• SMILES: O=C(Cc1ccco1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1
• InChI: InChI=1S/C19H22N2O4/c22-18(11-15-5-3-10-23-15)21-9-4-7-19(14-21)12-16(13-24-19)25-17-6-1-2-8-20-17/h1-3,5-6,8,10,16H,4,7,9,11-14H2/t16-,19-/m0/s1
• InChIKey: NHVAYXYVVRVAGJ-LPHOPBHVSA-N
• XLogP: 2.45
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.39
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?

The IUPAC name of 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 97419778) is 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

What is the SMILES notation for 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?

The canonical SMILES for 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(Cc1ccco1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1.

What is the InChIKey of 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?

The InChIKey is NHVAYXYVVRVAGJ-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(11-15-5-3-10-23-15)21-9-4-7-19(14-21)12-16(13-24-19)25-17-6-1-2-8-20-17/h1-3,5-6,8,10,16H,4,7,9,11-14H2/t16-,19-/m0/s1.

What are the key properties of 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?

2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 342.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 97419778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).