(2S,4S)-4-fluoro-1-[[N-[4-[N-(5-methyl-1,3,4-oxadiazol-2-yl)amino]carbonylbicyclo[2.2.2]oct-1-yl]amino]acetyl]pyrrolidine-2-carbonitrile

HCID 57756751
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Basic information

Standard SMILES
Cc1nnc(NC(=O)C23CCC(NCC(=O)N4C[C@@H](F)C[C@H]4C#N)(CC2)CC3)o1
InChIKey
JJLJZEJXMFQNQE-IHWOHKJGSA-N
Molecular formula
C19H25FN6O3
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
(2S,4S)-4-fluoro-1-[[N-[4-[N-(5-methyl-1,3,4-oxadiazol-2-yl)amino]carbonylbicyclo[2.2.2]oct-1-yl]amino]acetyl]pyrrolidine-2-carbonitrile
IUPAC
4-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)bicyclo[2.2.2]octane-1-carboxamide

Names & synonyms

SCHEMBL3939505JJLJZEJXMFQNQE-IHWOHKJGSA-N(2S,4S)-4-fluoro-1-[[N-[4-[N-(5-methyl-1,3,4-oxadiazol-2-yl)amino]carbonylbicyclo[2.2.2]oct-1-yl]amino]acetyl]pyrrolidine-2-carbonitrile

Database identifiers

PubChem CID
57756751

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
29

Related reactions

1 records
New reaction record

Compound notes

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