| CAS Number | 1171316-30-5 |
| Catalog Number | AG019MHW |
| Chemical Name | 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine dihydrochloride |
| IUPAC Name | 3-phenyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole;dihydrochloride |
| InChI | InChI=1S/C14H18N4O.2ClH/c1-11(18-9-7-15-8-10-18)14-16-13(17-19-14)12-5-3-2-4-6-12;;/h2-6,11,15H,7-10H2,1H3;2*1H |
| InChI Key | VVRSYAOCIXIYPK-UHFFFAOYSA-N |
| MDL Number | MFCD10686870 |
| Molecular Formula | C14H20Cl2N4O |
| Molecular Weight | 331.2408 |
| SMILES | Cl.Cl.CC(C1ON=C(C2=CC=CC=C2)N=1)N1CCNCC1 |
| Synonyms | 1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine dihydrochloride,
1171316-30-5,
AC1Q3A6P,
CTK6A6213,
AKOS026850937,
MCULE-7186486219,
NE39474,
EN300-36241,
Z367678510,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.241g/mol |
| Monoisotopic Mass | 330.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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