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

C18H20N2O4 — CID 97488964

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

furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97488964) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• PubChem CID: 97488964
• Molecular Formula: C18H20N2O4
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.14
• IUPAC Name: furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• SMILES: O=C(c1ccoc1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
• InChI: InChI=1S/C18H20N2O4/c21-17(14-4-8-22-11-14)20-7-2-5-18(13-20)9-16(12-23-18)24-15-3-1-6-19-10-15/h1,3-4,6,8,10-11,16H,2,5,7,9,12-13H2/t16-,18+/m0/s1
• InChIKey: XMSCMYYFOZQOPO-FUHWJXTLSA-N
• XLogP: 2.52
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97488964) is furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

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

The canonical SMILES for furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(c1ccoc1)N1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1.

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

The InChIKey is XMSCMYYFOZQOPO-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(14-4-8-22-11-14)20-7-2-5-18(13-20)9-16(12-23-18)24-15-3-1-6-19-10-15/h1,3-4,6,8,10-11,16H,2,5,7,9,12-13H2/t16-,18+/m0/s1.

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

furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97488964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).