| CAS Number | 1170455-92-1 |
| Catalog Number | AG019NGM |
| Chemical Name | 1-{3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propyl}piperazine dihydrochloride |
| IUPAC Name | 5-(3-piperazin-1-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole;dihydrochloride |
| InChI | InChI=1S/C13H18N4OS.2ClH/c1(7-17-8-5-14-6-9-17)4-12-15-13(16-18-12)11-3-2-10-19-11;;/h2-3,10,14H,1,4-9H2;2*1H |
| InChI Key | BQBBDYVPHSOMQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11505589 |
| Molecular Formula | C13H20Cl2N4OS |
| Molecular Weight | 351.2951 |
| SMILES | Cl.Cl.C(CC1ON=C(C2SC=CC=2)N=1)CN1CCNCC1 |
| Synonyms | 1-{3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propyl}piperazine dihydrochloride,
1170455-92-1,
1-[3-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine dihydrochloride,
AC1Q3A25,
CTK7D1760,
NE15178,
EN300-40373,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.29g/mol |
| Monoisotopic Mass | 350.073g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number