1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone

C19H21FN2O4 — CID 124791130

IUPAC1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F
InChIInChI=1S/C19H21FN2O4/c20-16-4-1-7-21-18(16)25-9-5-14-6-10-26-19(14)12-22(13-19)17(23)11-15-3-2-8-24-15/h1-4,7-8,14H,5-6,9-13H2/t14-/m0/s1
InChIKeyGBIUORLQDADXOA-AWEZNQCLSA-N
MW360.38 g/mol
LogP2.44
Rot. Bonds6

About 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone

1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone (PubChem CID 124791130) has the molecular formula C19H21FN2O4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone
PubChem CID124791130
Molecular FormulaC19H21FN2O4
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F
InChIInChI=1S/C19H21FN2O4/c20-16-4-1-7-21-18(16)25-9-5-14-6-10-26-19(14)12-22(13-19)17(23)11-15-3-2-8-24-15/h1-4,7-8,14H,5-6,9-13H2/t14-/m0/s1
InChIKeyGBIUORLQDADXOA-AWEZNQCLSA-N
XLogP2.44
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone with MolForge

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Related Compounds

1-[(3aS,6aS)-3a-(pyridin-3-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(furan-2-yl)ethanone
CID 97421487
furan-3-yl-[(4S,5S)-4-(pyridin-3-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 98776887
furan-3-yl-[(4R,5S)-4-(pyridin-3-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 98776950
1-[(3aS,6aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone
CID 125225648
(E)-3-(furan-2-yl)-1-(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)prop-2-en-1-one
CID 91815775
3-(Furan-2-yl)-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 92090053
(2,5-Dimethylfuran-3-yl)(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 92090218
(3R)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419247
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419248
(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97419901
1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
CID 97419907
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(furan-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420080

Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone (CID 124791130) is 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)N1CC2(C1)OCC[C@@H]2CCOc1ncccc1F.
What is the InChIKey of 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone?
The InChIKey is GBIUORLQDADXOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-16-4-1-7-21-18(16)25-9-5-14-6-10-26-19(14)12-22(13-19)17(23)11-15-3-2-8-24-15/h1-4,7-8,14H,5-6,9-13H2/t14-/m0/s1.
What are the key properties of 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone?
1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone has a molecular weight of 360.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 124791130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).