5-((Dimethylamino)methyl)-3(2H)-isoxazolone

HCID 173641

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Basic information

CAS: 58728-65-7
Standard SMILES: CN(C)Cc1cc(=O)[nH]o1
InChIKey: DWKOKEYCCADQEG-UHFFFAOYSA-N
Molecular formula: C6H10N2O2
Average molar mass: 142.16 g/mol
Monoisotopic mass: 142.07422757

Overview

unlike muscimol, the above cpd is not a GABA agonist but a glycine antagonist; structure given in first source

Names & identifiers

Preferred name: 5-((Dimethylamino)methyl)-3(2H)-isoxazolone
IUPAC: 5-[(dimethylamino)methyl]-1,2-oxazol-3-one
English name: N,N-dimethylmuscimol
Molecular formula: C6H10N2O2
Molecular weight: 142.16

Names & synonyms

N,N-Dimethylmuscimol58728-65-75-((Dimethylamino)methyl)-3(2H)-isoxazoloneDTXSID40207435RefChem:161310DTXCID401299265-[(dimethylamino)methyl]-1,2-oxazol-3-oneSCHEMBL92324503(2H)-Isoxazolone, 5-((dimethylamino)methyl)-5-[(dimethylamino)methyl]-1,2-oxazol-3(2H)-one3(2H)-Isoxazolone, 5-[(dimethylamino)methyl]-

Database identifiers

CAS: 58728-65-7
PubChem CID: 173641
DTXSID: DTXSID40207435

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 175

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