1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone

C18H19FN2O4 — CID 97419907

IUPAC1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C18H19FN2O4/c19-15-4-1-6-20-17(15)25-14-10-18(24-11-14)5-7-21(12-18)16(22)9-13-3-2-8-23-13/h1-4,6,8,14H,5,7,9-12H2/t14-,18-/m0/s1
InChIKeyZLHDCNOFTFHLRI-KSSFIOAISA-N
MW346.36 g/mol
LogP2.20
Rot. Bonds4

About 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone

1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone (PubChem CID 97419907) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
PubChem CID97419907
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1
InChIInChI=1S/C18H19FN2O4/c19-15-4-1-6-20-17(15)25-14-10-18(24-11-14)5-7-21(12-18)16(22)9-13-3-2-8-23-13/h1-4,6,8,14H,5,7,9-12H2/t14-,18-/m0/s1
InChIKeyZLHDCNOFTFHLRI-KSSFIOAISA-N
XLogP2.20
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-N'-[1-(furan-2-yl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 3220007
2,5-dimethyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-ylfuran-3-carboxamide
CID 72014013
(3R,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97366382
[(3R,3aS,7aS)-3-(pyridin-3-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(2-methylfuran-3-yl)methanone
CID 97380795
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419525
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419559
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-phenylmethanone
CID 97419631
cyclopenten-1-yl-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419638
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-2-yl)methanone
CID 97419792
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97419793
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,2-oxazol-4-yl)methanone
CID 97419801
(3S,5S)-7-[(5-methylfuran-2-yl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419865

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 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) is 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)N1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1.
What is the InChIKey of 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone?
The InChIKey is ZLHDCNOFTFHLRI-KSSFIOAISA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-15-4-1-6-20-17(15)25-14-10-18(24-11-14)5-7-21(12-18)16(22)9-13-3-2-8-23-13/h1-4,6,8,14H,5,7,9-12H2/t14-,18-/m0/s1.
What are the key properties of 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone?
1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone has a molecular weight of 346.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 97419907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).