(S)-2-((3,4-Dimethoxyphenoxy)methyl)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride

HCID 86706752
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Basic information

Standard SMILES
COc1ccc(OCc2nnc([C@@H]3CCCN3)o2)cc1OC.Cl
InChIKey
AHHMZBDDGTUJTF-MERQFXBCSA-N
Molecular formula
C15H20ClN3O4
Average molar mass
341.79 g/mol
Monoisotopic mass
341.1142338

Names & identifiers

Preferred name
(S)-2-((3,4-Dimethoxyphenoxy)methyl)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride
IUPAC
2-[(3,4-dimethoxyphenoxy)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride

Names & synonyms

AHHMZBDDGTUJTF-MERQFXBCSA-N(S)-2-((3,4-Dimethoxyphenoxy)methyl)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride

Database identifiers

PubChem CID
86706752

Properties

Computed structural properties

Topological polar surface area
78.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
23

Related reactions

1 records
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Compound notes

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(S)-2-((3,4-Dimethoxyphenoxy)methyl)-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole hydrochloride (HCID 86706752)｜Huagongshe