| CAS Number | 1171190-56-9 |
| Catalog Number | AG019NI5 |
| Chemical Name | 1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine dihydrochloride |
| IUPAC Name | 5-(piperazin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;dihydrochloride |
| InChI | InChI=1S/C14H15F3N4O.2ClH/c15-14(16,17)11-3-1-2-10(8-11)13-19-12(22-20-13)9-21-6-4-18-5-7-21;;/h1-3,8,18H,4-7,9H2;2*1H |
| InChI Key | JDCAWTIVCUJVRL-UHFFFAOYSA-N |
| MDL Number | MFCD11505610 |
| Molecular Formula | C14H17Cl2F3N4O |
| Molecular Weight | 385.2122 |
| SMILES | Cl.Cl.FC(C1=CC(C2N=C(CN3CCNCC3)ON=2)=CC=C1)(F)F |
| Synonyms | 1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine dihydrochloride,
1171190-56-9,
AC1Q3AL8,
CTK7B6813,
AKOS026851728,
NE15181,
EN300-40490,
Z415627496,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.212g/mol |
| Monoisotopic Mass | 384.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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