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

C18H19FN2O4 — CID 97420088

IUPAC1-[(3R,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+/m1/s1
InChIKeyZLHDCNOFTFHLRI-KDOFPFPSSA-N
MW346.36 g/mol
LogP2.20
Rot. Bonds4

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

1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone (PubChem CID 97420088) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[(3R,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-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone
PubChem CID97420088
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name1-[(3R,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+/m1/s1
InChIKeyZLHDCNOFTFHLRI-KDOFPFPSSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,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-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone (CID 97420088) is 1-[(3R,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-[(3R,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-[(3R,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-[(3R,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-KDOFPFPSSA-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+/m1/s1.
What are the key properties of 1-[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(furan-2-yl)ethanone?
1-[(3R,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-[(3R,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 97420088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).