Name: Name:5-[(methylamino)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride
Brand: Angene
SKU: AG01BAGV
Rating: 90 (10 reviews)

5-[(methylamino)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

CAS No.:

1046079-42-8

Catalog Number:

AG01BAGV

Molecular Formula:

C4H8ClN3O2

Molecular Weight:

165.5782

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Product Description

Catalog Number:

AG01BAGV

Chemical Name:

5-[(methylamino)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride

CAS Number:

1046079-42-8

Molecular Formula:

C4H8ClN3O2

Molecular Weight:

165.5782

MDL Number:

MFCD11109598

IUPAC Name:

5-(methylaminomethyl)-3H-1,3,4-oxadiazol-2-one;hydrochloride

InChI:

InChI=1S/C4H7N3O2.ClH/c1-5-2-3-6-7-4(8)9-3;/h5H,2H2,1H3,(H,7,8);1H

InChI Key:

CCVASKUEYWRHFV-UHFFFAOYSA-N

SMILES:

CNCc1n[nH]c(=O)o1.Cl

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

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Molecular Weight:

165.577g/mol

Monoisotopic Mass:

165.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Synthesis of GABAA receptor agonists and evaluation of their alpha-subunit selectivity and orientation in the GABA binding site.	Journal of medicinal chemistry 20080814