Home Other Building Blocks 1-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)piperazine dihydrochloride

1-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)piperazine dihydrochloride

CAS No.:
1169989-01-8
Catalog Number:
AG019UDB
Molecular Formula:
C15H19Cl2F3N4O
Molecular Weight:
399.2388
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Product Description
Catalog Number:
AG019UDB
Chemical Name:
1-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)piperazine dihydrochloride
CAS Number:
1169989-01-8
Molecular Formula:
C15H19Cl2F3N4O
Molecular Weight:
399.2388
MDL Number:
MFCD11839810
IUPAC Name:
5-(1-piperazin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C15H17F3N4O.2ClH/c1-10(22-7-5-19-6-8-22)14-20-13(21-23-14)11-3-2-4-12(9-11)15(16,17)18;;/h2-4,9-10,19H,5-8H2,1H3;2*1H
InChI Key:
QDBSJIGUWBZPLL-UHFFFAOYSA-N
SMILES:
CC(c1onc(n1)c1cccc(c1)C(F)(F)F)N1CCNCC1.Cl.Cl
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.089g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
399.239g/mol
Monoisotopic Mass:
398.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties