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1426291-49-7,MFCD16652985
Catalog No.:AA01AQFF
1426291-49-7 | 5-Azetidin-3-yl-3-(2-methoxybenzyl)-1,2,4-oxadiazole hydrochloride
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Technical Information
Catalog Number:
AA01AQFF
Chemical Name:
5-Azetidin-3-yl-3-(2-methoxybenzyl)-1,2,4-oxadiazole hydrochloride
CAS Number:
1426291-49-7
Molecular Formula:
C13H16ClN3O2
Molecular Weight:
281.7380
MDL Number:
MFCD16652985
IUPAC Name:
5-(azetidin-3-yl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C13H15N3O2.ClH/c1-17-11-5-3-2-4-9(11)6-12-15-13(18-16-12)10-7-14-8-10;/h2-5,10,14H,6-8H2,1H3;1H
InChI Key:
CFIWDWGVUSKLMZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1Cc1noc(n1)C1CNC1.Cl
Properties
Computed Properties
 
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.74g/mol
Monoisotopic Mass:
281.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
5-azetidin-3-yl-3-(2-methoxybenzyl)-1,2,4-oxadiazole hydrochloride 
1426291-49-7 
F2145-0231 
AKOS026676894 
L-5124 
Literature
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