1-[(2S,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-pyridin-2-ylethanone

C17H20N4O3 — CID 97482252

IUPAC1-[(2S,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-pyridin-2-ylethanone
SMILESCc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3O2)n1
InChIInChI=1S/C17H20N4O3/c1-11-19-16(24-20-11)8-14-6-12-9-21(10-15(12)23-14)17(22)7-13-4-2-3-5-18-13/h2-5,12,14-15H,6-10H2,1H3/t12-,14-,15+/m0/s1
InChIKeyCLGHTHDXMIUOHQ-AEGPPILISA-N
MW328.37 g/mol
LogP1.17
Rot. Bonds4

About 1-[(2S,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-pyridin-2-ylethanone

1-[(2S,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-pyridin-2-ylethanone (PubChem CID 97482252) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(2S,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-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(2S,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-pyridin-2-ylethanone
PubChem CID97482252
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(2S,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-pyridin-2-ylethanone
SMILESCc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3O2)n1
InChIInChI=1S/C17H20N4O3/c1-11-19-16(24-20-11)8-14-6-12-9-21(10-15(12)23-14)17(22)7-13-4-2-3-5-18-13/h2-5,12,14-15H,6-10H2,1H3/t12-,14-,15+/m0/s1
InChIKeyCLGHTHDXMIUOHQ-AEGPPILISA-N
XLogP1.17
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,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-pyridin-2-ylethanone with MolForge

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Related Compounds

1-[(2S,3aR,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-(2-fluorophenyl)ethanone
CID 125226909
1-[(2S,3aR,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-(4-fluoro-2-methylphenyl)ethanone
CID 125222750
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
[(2S,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-methylpyrazol-3-yl)methanone
CID 97485955
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(2-phenylmethoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124811141
(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
(2S,3aR,6aR)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 134690555
1-[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97457942
(2S,3aR,6aR)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124809474
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,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-pyridin-2-ylethanone?
The IUPAC name of 1-[(2S,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-pyridin-2-ylethanone (CID 97482252) is 1-[(2S,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-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(2S,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-pyridin-2-ylethanone?
The canonical SMILES for 1-[(2S,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-pyridin-2-ylethanone is Cc1noc(C[C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)C[C@H]3O2)n1.
What is the InChIKey of 1-[(2S,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-pyridin-2-ylethanone?
The InChIKey is CLGHTHDXMIUOHQ-AEGPPILISA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-19-16(24-20-11)8-14-6-12-9-21(10-15(12)23-14)17(22)7-13-4-2-3-5-18-13/h2-5,12,14-15H,6-10H2,1H3/t12-,14-,15+/m0/s1.
What are the key properties of 1-[(2S,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-pyridin-2-ylethanone?
1-[(2S,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-pyridin-2-ylethanone has a molecular weight of 328.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,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-pyridin-2-ylethanone is sourced from PubChem (CID 97482252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).