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Home > Other Heterocycles > 2044713-65-5
2044713-65-5 | 1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.1.1]hexane hydrochloride
CAS No: 2044713-65-5 Catalog No: AG01BVAP MDL No:MFCD30476330
Product Description
Catalog Number:
AG01BVAP
Chemical Name:
1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.1.1]hexane hydrochloride
CAS Number:
2044713-65-5
Molecular Formula:
C8H12ClN3O
Molecular Weight:
201.6534
MDL Number:
MFCD30476330
IUPAC Name:
5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C8H11N3O.ClH/c1-5-10-7(12-11-5)8-2-6(3-8)4-9-8;/h6,9H,2-4H2,1H3;1H
InChI Key:
CABDESWHGMZSHG-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)C12NCC(C1)C2.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.654g/mol
Monoisotopic Mass:
201.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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