(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C18H21FN2O3 — CID 97419248

IUPAC(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccnc1O[C@@H]1COC2(CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C18H21FN2O3/c19-16-4-1-7-20-17(16)24-15-11-18(23-13-15)5-8-21(9-6-18)12-14-3-2-10-22-14/h1-4,7,10,15H,5-6,8-9,11-13H2/t15-/m0/s1
InChIKeyGSBQVJUWYQRUKT-HNNXBMFYSA-N
MW332.38 g/mol
LogP3.02
Rot. Bonds4

About (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97419248) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97419248
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccnc1O[C@@H]1COC2(CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C18H21FN2O3/c19-16-4-1-7-20-17(16)24-15-11-18(23-13-15)5-8-21(9-6-18)12-14-3-2-10-22-14/h1-4,7,10,15H,5-6,8-9,11-13H2/t15-/m0/s1
InChIKeyGSBQVJUWYQRUKT-HNNXBMFYSA-N
XLogP3.02
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

2-[1-[(5-Methyl-2-furyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16189959
furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235407
(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
CID 45484577
1-(2-furylmethyl)-N-propyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50952086
(1,2-Dimethylpropyl)(2-furylmethyl)(pyridin-2-ylmethyl)amine
CID 50983363
(4aR,7aS)-6-(furan-2-ylmethyl)-4-(pyridin-3-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775018
1-(2-furylmethyl)-N-[2-(3-pyridinyl)ethyl]-3-piperidinecarboxamide
CID 72861399
1-(2-furylmethyl)-N-[3-(4-pyridinyl)propyl]-3-piperidinecarboxamide
CID 72924276
(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364573
(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364574
(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(pyridin-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97364575
(4aS,7R,7aR)-4-[(5-methylfuran-2-yl)methyl]-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365536

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97419248) is (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is Fc1cccnc1O[C@@H]1COC2(CCN(Cc3ccco3)CC2)C1.
What is the InChIKey of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GSBQVJUWYQRUKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-16-4-1-7-20-17(16)24-15-11-18(23-13-15)5-8-21(9-6-18)12-14-3-2-10-22-14/h1-4,7,10,15H,5-6,8-9,11-13H2/t15-/m0/s1.
What are the key properties of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 332.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97419248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).