| CAS Number | 1351620-40-0 |
| Catalog Number | AG01AQGS(AGN-PC-0WCNPO) |
| Chemical Name | 5-(azetidin-3-yl)-3-benzyl-1,2,4-oxadiazole hydrochloride |
| IUPAC Name | 5-(azetidin-3-yl)-3-benzyl-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C12H13N3O.ClH/c1-2-4-9(5-3-1)6-11-14-12(16-15-11)10-7-13-8-10;/h1-5,10,13H,6-8H2;1H |
| InChI Key | QGYOMCLBLLIMFZ-UHFFFAOYSA-N |
| MDL Number | MFCD16652977 |
| Molecular Formula | C12H14ClN3O |
| Molecular Weight | 251.7121 |
| SMILES | Cl.C(C1=CC=CC=C1)C1N=C(C2CNC2)ON=1 |
| Synonyms | 5-azetidin-3-yl-3-benzyl-1,2,4-oxadiazole hydrochloride,
1351620-40-0,
F2145-0220,
AKOS026676891,
MCULE-5217789366,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.714g/mol |
| Monoisotopic Mass | 251.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number