1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone

C13H19N3O4 — CID 155875591

IUPAC1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone
SMILESCOCC(=O)N1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1
InChIInChI=1S/C13H19N3O4/c1-8-14-12(20-15-8)4-10-3-9-5-16(6-11(9)19-10)13(17)7-18-2/h9-11H,3-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyQIUDXFUSMLIYKY-HBNTYKKESA-N
MW281.31 g/mol
LogP0.18
Rot. Bonds4

About 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone

1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone (PubChem CID 155875591) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone
PubChem CID155875591
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone
SMILESCOCC(=O)N1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1
InChIInChI=1S/C13H19N3O4/c1-8-14-12(20-15-8)4-10-3-9-5-16(6-11(9)19-10)13(17)7-18-2/h9-11H,3-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyQIUDXFUSMLIYKY-HBNTYKKESA-N
XLogP0.18
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone (CID 155875591) is 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone is COCC(=O)N1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1.
What is the InChIKey of 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone?
The InChIKey is QIUDXFUSMLIYKY-HBNTYKKESA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-14-12(20-15-8)4-10-3-9-5-16(6-11(9)19-10)13(17)7-18-2/h9-11H,3-7H2,1-2H3/t9-,10+,11+/m0/s1.
What are the key properties of 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone?
1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone has a molecular weight of 281.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-methoxyethanone is sourced from PubChem (CID 155875591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).