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

C19H26N2O3 — CID 97365055

IUPAC[(3aS,4R,7aS)-6-(2-phenylethyl)-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(CCc2ccccc2)C[C@H]2OCC[C@@H]12)N1CCCO1
InChIInChI=1S/C19H26N2O3/c22-19(21-9-4-11-24-21)17-13-20(14-18-16(17)8-12-23-18)10-7-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2/t16-,17-,18+/m0/s1
InChIKeyINLZPVAXFWJYGY-OKZBNKHCSA-N
MW330.43 g/mol
LogP1.73
Rot. Bonds4

About [(3aS,4R,7aS)-6-(2-phenylethyl)-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-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97365055) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(3aS,4R,7aS)-6-(2-phenylethyl)-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-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97365055
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[(3aS,4R,7aS)-6-(2-phenylethyl)-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(CCc2ccccc2)C[C@H]2OCC[C@@H]12)N1CCCO1
InChIInChI=1S/C19H26N2O3/c22-19(21-9-4-11-24-21)17-13-20(14-18-16(17)8-12-23-18)10-7-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2/t16-,17-,18+/m0/s1
InChIKeyINLZPVAXFWJYGY-OKZBNKHCSA-N
XLogP1.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aS,4R,7aS)-6-(2-phenylethyl)-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-phenylethyl)-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-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97365055) is [(3aS,4R,7aS)-6-(2-phenylethyl)-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-phenylethyl)-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-phenylethyl)-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(CCc2ccccc2)C[C@H]2OCC[C@@H]12)N1CCCO1.
What is the InChIKey of [(3aS,4R,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is INLZPVAXFWJYGY-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-19(21-9-4-11-24-21)17-13-20(14-18-16(17)8-12-23-18)10-7-15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2/t16-,17-,18+/m0/s1.
What are the key properties of [(3aS,4R,7aS)-6-(2-phenylethyl)-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-phenylethyl)-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 330.43 g/mol, XLogP of 1.73, 4 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-phenylethyl)-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 97365055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).