[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

C14H20N4O3 — CID 97422280

IUPAC[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc([C@]23COC[C@H]2CN(C(=O)N2CCCC2)C3)n1
InChIInChI=1S/C14H20N4O3/c1-10-15-12(21-16-10)14-8-18(6-11(14)7-20-9-14)13(19)17-4-2-3-5-17/h11H,2-9H2,1H3/t11-,14-/m1/s1
InChIKeyGHDOLBLVHCYQAA-BXUZGUMPSA-N
MW292.34 g/mol
LogP0.79
Rot. Bonds1

About [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97422280) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID97422280
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc([C@]23COC[C@H]2CN(C(=O)N2CCCC2)C3)n1
InChIInChI=1S/C14H20N4O3/c1-10-15-12(21-16-10)14-8-18(6-11(14)7-20-9-14)13(19)17-4-2-3-5-17/h11H,2-9H2,1H3/t11-,14-/m1/s1
InChIKeyGHDOLBLVHCYQAA-BXUZGUMPSA-N
XLogP0.79
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-[(3aS,6aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(cyclohexen-1-yl)ethanone
CID 124807235
(3aR,6aR)-5-cyclopropylsulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97422279
tert-butyl (1R,5R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86699315
(3aR,6aR)-5-(1-methylimidazol-4-yl)sulfonyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97422267
(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 155954540
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130346995
5-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole
CID 155958960
N-[[(3aS,6aR)-5-(pyrrolidine-1-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 97420574
[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97422340
cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 156610719
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
[(3aR,6aR)-3a-(pyridin-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 97477527

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 97422280) is [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is Cc1noc([C@]23COC[C@H]2CN(C(=O)N2CCCC2)C3)n1.
What is the InChIKey of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GHDOLBLVHCYQAA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-15-12(21-16-10)14-8-18(6-11(14)7-20-9-14)13(19)17-4-2-3-5-17/h11H,2-9H2,1H3/t11-,14-/m1/s1.
What are the key properties of [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.34 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97422280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).