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Substance Name: 2-Oxazolamine, 4,5-dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-
RN: 120182-09-4
InChIKey: LNIMUDTVDWATDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-Cl-N4-O

Molecular Weight

  • 294.784
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-2-oxazolamine
  • BRN 5446482

Systematic Name

  • 2-Oxazolamine, 4,5-dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-

Registry Numbers

CAS Registry Number

  • 120182-09-4

System Generated Number

  • 0120182094

Structure Descriptors

InChI

1S/C14H19ClN4O/c15-11-2-1-3-12(8-11)19-6-4-18(5-7-19)10-13-9-17-14(16)20-13/h1-3,8,13H,4-7,9-10H2,(H2,16,17)

InChIKey

LNIMUDTVDWATDY-UHFFFAOYSA-N

Smiles

C1(=NC[C@@H](O1)CN1CCN(CC1)c1cc(Cl)ccc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 437, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.83 (none)   EXP
Water Solubility 360 mg/L 25 EST
Vapor Pressure 2.42E-07 mm Hg 25 EST
Henry's Law Constant 8.55E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.56E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.