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Home> Encyclopedia > Hot Product Listed 5   > 5(4H)-Oxazolone
1185126-95-7 structure

5(4H)-Oxazolone

Iupac Name:3-piperidin-4-ylpropanamide;hydrochloride
CAS No.:1185126-95-7
Molecular Weight:192.687
Molecular Formula:C15H9NO3 (isomer)
Names and Identifiers
Synonyms

2-Oxazolin-5-one(8CI) 4H-5-Oxooxazole 5-Oxo-2-oxazoline D2-Oxazolin-5-one Glycine, N-(hydroxymethylene)-, g-lactone

Inchi
InChI=1S/C8H16N2O.ClH/c9-8(11)2-1-7-3-5-10-6-4-7;/h7,10H,1-6H2,(H2,9,11);1H
InChkey
QTDBLNIEHRZWQT-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1CCC(=O)N.Cl
Properties
Density
0.933
Computational chemical data
  • Molecular Weight:192.687g/mol
  • Molecular Formula:C15H9NO3
  • Compound Is Canonicalized:True
  • Exact Mass:192.103
  • Monoisotopic Mass:192.103
  • Complexity:130
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:55.1A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzIAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADQDBgAQAAALAAAAI AAEQEAAAAAAAAAAAAIEIAAAAABIAgAAEAAAAEACAAAEYCAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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