[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

C18H23FN2O3 — CID 97388536

IUPAC[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESO=C([C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1)N1CCCCO1
InChIInChI=1S/C18H23FN2O3/c19-14-4-3-5-15(11-14)20-8-6-13-10-16(24-17(13)12-20)18(22)21-7-1-2-9-23-21/h3-5,11,13,16-17H,1-2,6-10,12H2/t13-,16+,17+/m0/s1
InChIKeyFYXLXSCRDUQVSD-IAOVAPTHSA-N
MW334.39 g/mol
LogP2.36
Rot. Bonds2

About [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (PubChem CID 97388536) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
PubChem CID97388536
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESO=C([C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1)N1CCCCO1
InChIInChI=1S/C18H23FN2O3/c19-14-4-3-5-15(11-14)20-8-6-13-10-16(24-17(13)12-20)18(22)21-7-1-2-9-23-21/h3-5,11,13,16-17H,1-2,6-10,12H2/t13-,16+,17+/m0/s1
InChIKeyFYXLXSCRDUQVSD-IAOVAPTHSA-N
XLogP2.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (CID 97388536) is [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is O=C([C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1)N1CCCCO1.
What is the InChIKey of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The InChIKey is FYXLXSCRDUQVSD-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-14-4-3-5-15(11-14)20-8-6-13-10-16(24-17(13)12-20)18(22)21-7-1-2-9-23-21/h3-5,11,13,16-17H,1-2,6-10,12H2/t13-,16+,17+/m0/s1.
What are the key properties of [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
[(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone has a molecular weight of 334.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7aS)-6-(3-fluorophenyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 97388536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).