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Home> Hot Product Listed M   > MOLPORT-009-028-346
50606-30-9 structure

MOLPORT-009-028-346

Iupac Name:4-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-oxazole
CAS No.:50606-30-9
Molecular Weight:169.228
Molecular Formula:C19H20N2O4 (isomer)
Names and Identifiers
Synonyms

2-methyl-n-[3-(2-methyl-1h-1,3-benzodiazol-1-yl)propyl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxamide AKOS017067460 MCULE-5542443184 Z29199805

Inchi
InChI=1S/C8H15N3O/c1-7-6-12-8(10-7)11-4-2-9-3-5-11/h7,9H,2-6H2,1H3
InChkey
WOEPIKLBVHLVEV-UHFFFAOYSA-N
Canonical Smiles
CC1COC(=N1)N2CCNCC2
Computational chemical data
  • Molecular Weight:169.228g/mol
  • Molecular Formula:C19H20N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:169.122
  • Monoisotopic Mass:169.122
  • Complexity:187
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:36.9A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAAAAAAAAAAAAAAAAAAAQAAAAAsAAAAAAAAAAAAAAAAHgAQAAAACCjhgAYDAAPABAAg AAAAJAAAAAEAAAABAIAIAAACQAAACAAZAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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