3-(2,6-Difluorophenyl)-5-(piperidin-3-yl)-1,2,4-oxadiazole hydrochloride - CAS 1349718-79-1
Catalog: |
BB051595 |
Product Name: |
3-(2,6-Difluorophenyl)-5-(piperidin-3-yl)-1,2,4-oxadiazole hydrochloride |
CAS: |
1349718-79-1 |
Synonyms: |
3-[3-(2,6-Difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride |
IUPAC Name: | 3-(2,6-difluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride |
Molecular Weight: | 301.72 |
Molecular Formula: | C13H14ClF2N3O |
Canonical SMILES: | C1CC(CNC1)C2=NC(=NO2)C3=C(C=CC=C3F)F.Cl |
InChI: | InChI=1S/C13H13F2N3O.ClH/c14-9-4-1-5-10(15)11(9)12-17-13(19-18-12)8-3-2-6-16-7-8;/h1,4-5,8,16H,2-3,6-7H2;1H |
InChI Key: | UUKCAAHQRNJSLN-UHFFFAOYSA-N |
Purity: | 97% |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.0793461 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.0793461 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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