5-Chloro-3-(1-Piperidinylmethyl)-1,3-Benzoxazol-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C13H15ClN2O2
IUPAC Name 5-chloro-3-(1-piperidylmethyl)-1,3-benzoxazol-2-one
Molecular Mass 266.723 g·mol−1
Heat of Formation -235.3 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 307.24 Å 3
Surface Area 265.81 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2(3h)-benzoxazolone, 5-chloro-3-(1-piperidinylmethyl)-
  • 3-piperidinomethyl-5-chlorobenzoxazolin-2-one
  • 3-pmcbo
  • 5-chloro-3-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-one
  • 5-chloro-3-(piperidinomethyl)-1,3-benzoxazol-2-one
  • 5-chloro-3-piperidin-1-ylmethyl-3h-benzooxazol-2-one
  • bas 08138396
  • oprea1_418666
  • timtec1_008083
CAS Number(s)
  • 16376-55-9
InChIKey VGVOSAQBSIETLT-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl