2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

C17H28N2O4 — CID 124788033

IUPAC2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESO=C(C[C@@H]1C[C@@H]2CN(C3CCOCC3)C[C@@H]2O1)N1CCCCO1
InChIInChI=1S/C17H28N2O4/c20-17(19-5-1-2-6-22-19)10-15-9-13-11-18(12-16(13)23-15)14-3-7-21-8-4-14/h13-16H,1-12H2/t13-,15+,16+/m1/s1
InChIKeyXMPJFZLELZVHCY-KBMXLJTQSA-N
MW324.42 g/mol
LogP1.20
Rot. Bonds3

About 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone

2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (PubChem CID 124788033) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
PubChem CID124788033
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
SMILESO=C(C[C@@H]1C[C@@H]2CN(C3CCOCC3)C[C@@H]2O1)N1CCCCO1
InChIInChI=1S/C17H28N2O4/c20-17(19-5-1-2-6-22-19)10-15-9-13-11-18(12-16(13)23-15)14-3-7-21-8-4-14/h13-16H,1-12H2/t13-,15+,16+/m1/s1
InChIKeyXMPJFZLELZVHCY-KBMXLJTQSA-N
XLogP1.20
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone 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

2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97478069
2-[(3aR,7S,7aS)-2-cyclopentyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(oxazinan-2-yl)ethanone
CID 97364777
2-[(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97476307
2-[(3aR,7S,7aS)-2-cyclobutyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(oxazinan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155848712
2-[(2S,3aS,6aS)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155827713
2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97474317
2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
CID 155879144
[(3aS,7S,7aS)-2-(oxan-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787954
(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97485219
[(3R,4aR,8aS)-6-(oxan-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 133141646
3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
CID 142298599
2-cyclohexyl-1-(1,2-oxazolidin-2-yl)ethanone
CID 14580111

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The IUPAC name of 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone (CID 124788033) is 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone.
What is the SMILES notation for 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The canonical SMILES for 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is O=C(C[C@@H]1C[C@@H]2CN(C3CCOCC3)C[C@@H]2O1)N1CCCCO1.
What is the InChIKey of 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
The InChIKey is XMPJFZLELZVHCY-KBMXLJTQSA-N. The full InChI is InChI=1S/C17H28N2O4/c20-17(19-5-1-2-6-22-19)10-15-9-13-11-18(12-16(13)23-15)14-3-7-21-8-4-14/h13-16H,1-12H2/t13-,15+,16+/m1/s1.
What are the key properties of 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone?
2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone is sourced from PubChem (CID 124788033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).