[(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

C18H23FN2O3 — CID 97365056

IUPAC[(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1CN(Cc2ccccc2F)C[C@H]2OCC[C@@H]12)N1CCCO1
InChIInChI=1S/C18H23FN2O3/c19-16-5-2-1-4-13(16)10-20-11-15(14-6-9-23-17(14)12-20)18(22)21-7-3-8-24-21/h1-2,4-5,14-15,17H,3,6-12H2/t14-,15-,17+/m0/s1
InChIKeyGLZCKHPVYIZSBD-YQQAZPJKSA-N
MW334.39 g/mol
LogP1.83
Rot. Bonds3

About [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97365056) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97365056
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name[(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C([C@H]1CN(Cc2ccccc2F)C[C@H]2OCC[C@@H]12)N1CCCO1
InChIInChI=1S/C18H23FN2O3/c19-16-5-2-1-4-13(16)10-20-11-15(14-6-9-23-17(14)12-20)18(22)21-7-3-8-24-21/h1-2,4-5,14-15,17H,3,6-12H2/t14-,15-,17+/m0/s1
InChIKeyGLZCKHPVYIZSBD-YQQAZPJKSA-N
XLogP1.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97365056) is [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is O=C([C@H]1CN(Cc2ccccc2F)C[C@H]2OCC[C@@H]12)N1CCCO1.
What is the InChIKey of [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is GLZCKHPVYIZSBD-YQQAZPJKSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-16-5-2-1-4-13(16)10-20-11-15(14-6-9-23-17(14)12-20)18(22)21-7-3-8-24-21/h1-2,4-5,14-15,17H,3,6-12H2/t14-,15-,17+/m0/s1.
What are the key properties of [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 334.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97365056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).