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Substance Name: 2-Oxazolamine, 4,5-dihydro-5-((4-(2-pyridinyl)-1-piperazinyl)methyl)-
RN: 120182-07-2
InChIKey: FDMZYWCLSJXOCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N5-O

Molecular Weight

  • 261.327
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-5-((4-(2-pyridinyl)-1-piperazinyl)methyl)-2-oxazolamine
  • BRN 5445419

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120182-07-2

System Generated Number

  • 0120182072

Structure Descriptors

InChI

1S/C13H19N5O/c14-13-16-9-11(19-13)10-17-5-7-18(8-6-17)12-3-1-2-4-15-12/h1-4,11H,5-10H2,(H2,14,16)

InChIKey

FDMZYWCLSJXOCU-UHFFFAOYSA-N

Smiles

C1CN(c2ncccc2)CCN1C[C@@H]1OC(N)=NC1

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) 0.48 (none)   EXP
Water Solubility 7960 mg/L 25 EST
Vapor Pressure 5.97E-07 mm Hg 25 EST
Henry's Law Constant 1.51E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-10 cm3/molecule-sec 25 EST

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