| CAS Number | 1046079-37-1 |
| Catalog Number | AG01B7SS |
| Chemical Name | 5-(Piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride |
| IUPAC Name | 5-piperidin-3-yl-3H-1,3,4-oxadiazol-2-one;hydrochloride |
| InChI | InChI=1S/C7H11N3O2.ClH/c11-7-10-9-6(12-7)5-2-1-3-8-4-5;/h5,8H,1-4H2,(H,10,11);1H |
| InChI Key | CPKCMSAECIGZOL-UHFFFAOYSA-N |
| MDL Number | MFCD11109595 |
| Molecular Formula | C7H12ClN3O2 |
| Molecular Weight | 205.6421 |
| SMILES | Cl.O=C1OC(C2CNCCC2)=NN1 |
| Synonyms | 5-(piperidin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one hydrochloride,
1046079-37-1,
CHEMBL443397,
CTK7H0366,
Z2050688345,
5-(PIPERIDIN-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE HYDROCHLORIDE,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.642g/mol |
| Monoisotopic Mass | 205.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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