(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane

C18H21FN2O3 — CID 124782438

IUPAC(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESFc1cccnc1OCC[C@@H]1CCOC12CN(Cc1ccco1)C2
InChIInChI=1S/C18H21FN2O3/c19-16-4-1-7-20-17(16)23-9-5-14-6-10-24-18(14)12-21(13-18)11-15-3-2-8-22-15/h1-4,7-8,14H,5-6,9-13H2/t14-/m1/s1
InChIKeyHBPUDPNUIGLZRX-CQSZACIVSA-N
MW332.38 g/mol
LogP2.87
Rot. Bonds6

About (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane

(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124782438) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID124782438
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESFc1cccnc1OCC[C@@H]1CCOC12CN(Cc1ccco1)C2
InChIInChI=1S/C18H21FN2O3/c19-16-4-1-7-20-17(16)23-9-5-14-6-10-24-18(14)12-21(13-18)11-15-3-2-8-22-15/h1-4,7-8,14H,5-6,9-13H2/t14-/m1/s1
InChIKeyHBPUDPNUIGLZRX-CQSZACIVSA-N
XLogP2.87
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Furfurylpyrrole
CID 15037
Furan-2-ylmethyl-pyridin-3-ylmethyl-amine
CID 736510
(2-Furylmethyl)(2-(2-pyridyloxy)ethyl)amine
CID 45259124
(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)[(5-ethylpyridin-2-yl)methyl](2-furylmethyl)amine
CID 50958556
(1,2-Dimethylpropyl)(2-furylmethyl)(pyridin-2-ylmethyl)amine
CID 50983363
1-[(3S,3aR,7aR)-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 97379040
1-[(3S,3aR,7aR)-5-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 97379041
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(furan-2-yl)methanone
CID 97419792
(3R,3aR,6aS)-1-(furan-2-ylmethyl)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97459579
1-[(1R,3aR,7aR)-5-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 97459882

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane (CID 124782438) is (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane is Fc1cccnc1OCC[C@@H]1CCOC12CN(Cc1ccco1)C2.
What is the InChIKey of (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is HBPUDPNUIGLZRX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-16-4-1-7-20-17(16)23-9-5-14-6-10-24-18(14)12-21(13-18)11-15-3-2-8-22-15/h1-4,7-8,14H,5-6,9-13H2/t14-/m1/s1.
What are the key properties of (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane?
(8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 332.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124782438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).