| CAS Number | 1311314-80-3 |
| Catalog Number | AG01AHG9 |
| Chemical Name | 3-[(4-bromophenyl)methyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride |
| IUPAC Name | 3-[(4-bromophenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C13H14BrN3O.ClH/c14-10-5-3-9(4-6-10)8-12-16-13(18-17-12)11-2-1-7-15-11;/h3-6,11,15H,1-2,7-8H2;1H |
| InChI Key | ZAHYQYCOBOHKRI-UHFFFAOYSA-N |
| MDL Number | MFCD18483326 |
| Molecular Formula | C13H15BrClN3O |
| Molecular Weight | 344.6347 |
| SMILES | Cl.BrC1=CC=C(CC2N=C(C3NCCC3)ON=2)C=C1 |
| Synonyms | 3-[(4-bromophenyl)methyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride,
1311314-80-3,
AKOS025440320,
MCULE-9679772217,
NE26793,
EN300-74662,
Z1266933859,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.637g/mol |
| Monoisotopic Mass | 343.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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