1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone

C18H22FN3O4 — CID 131683056

IUPAC1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@H](C(=O)N3CCCO3)O[C@@H]2C1
InChIInChI=1S/C18H22FN3O4/c19-13-2-3-14(20-10-13)9-17(23)21-6-4-12-8-15(26-16(12)11-21)18(24)22-5-1-7-25-22/h2-3,10,12,15-16H,1,4-9,11H2/t12-,15+,16+/m0/s1
InChIKeyCPBNBMZVUJAAAZ-APHBMKBZSA-N
MW363.39 g/mol
LogP0.93
Rot. Bonds3

About 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone

1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 131683056) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone
PubChem CID131683056
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@H](C(=O)N3CCCO3)O[C@@H]2C1
InChIInChI=1S/C18H22FN3O4/c19-13-2-3-14(20-10-13)9-17(23)21-6-4-12-8-15(26-16(12)11-21)18(24)22-5-1-7-25-22/h2-3,10,12,15-16H,1,4-9,11H2/t12-,15+,16+/m0/s1
InChIKeyCPBNBMZVUJAAAZ-APHBMKBZSA-N
XLogP0.93
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone with MolForge

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Related Compounds

[(2S,3aS,7aS)-6-(thiadiazole-4-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 131683552
[(2S,3aR,7aR)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124787441
[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124800228
[(2S,3aR,7aR)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124787588
2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
CID 124726986
[(2R,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388532
[(2S,3aS,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366673
[(2R,3aS,7aS)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388541
[(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 124813569
(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877203
2-(5-fluoro-2-pyridinyl)-1-(3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 131683888
2-(5-fluoro-2-pyridinyl)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]ethanone
CID 131681880

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone (CID 131683056) is 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone is O=C(Cc1ccc(F)cn1)N1CC[C@H]2C[C@H](C(=O)N3CCCO3)O[C@@H]2C1.
What is the InChIKey of 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is CPBNBMZVUJAAAZ-APHBMKBZSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-13-2-3-14(20-10-13)9-17(23)21-6-4-12-8-15(26-16(12)11-21)18(24)22-5-1-7-25-22/h2-3,10,12,15-16H,1,4-9,11H2/t12-,15+,16+/m0/s1.
What are the key properties of 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone?
1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 363.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 131683056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).