| CAS Number | 1285080-85-4 |
| Catalog Number | AG01A75G |
| Chemical Name | 1-{1-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine |
| IUPAC Name | 5-(1-piperazin-1-ylethyl)-3-thiophen-2-yl-1,2,4-oxadiazole |
| InChI | InChI=1S/C12H16N4OS/c1-9(16-6-4-13-5-7-16)12-14-11(15-17-12)10-3-2-8-18-10/h2-3,8-9,13H,4-7H2,1H3 |
| InChI Key | PXHCKHNTCUSXSA-UHFFFAOYSA-N |
| MDL Number | MFCD17932855 |
| Molecular Formula | C12H16N4OS |
| Molecular Weight | 264.3466 |
| SMILES | CC(C1ON=C(C2SC=CC=2)N=1)N1CCNCC1 |
| Synonyms | 1-{1-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}piperazine,
1285080-85-4,
AKOS009208093,
MCULE-7082109735,
NE30240,
EN300-57778,
Z1278583552,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.347g/mol |
| Monoisotopic Mass | 264.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number