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Substance Name: 2-Oxazolamine, 4,5-dihydro-5-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-
RN: 120182-20-9
InChIKey: CFFBLPKCMVYPLU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N6-O

Molecular Weight

  • 262.315
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-5-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-2-oxazolamine
  • BRN 3562021

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120182-20-9

System Generated Number

  • 0120182209

Structure Descriptors

InChI

1S/C12H18N6O/c13-11-16-8-10(19-11)9-17-4-6-18(7-5-17)12-14-2-1-3-15-12/h1-3,10H,4-9H2,(H2,13,16)

InChIKey

CFFBLPKCMVYPLU-UHFFFAOYSA-N

Smiles

C1CN(c2ncccn2)CCN1C[C@@H]1OC(N)=NC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 590mg/kg (590mg/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) 0.21 (none)   EXP
Water Solubility 1.34E+04 mg/L 25 EST
Vapor Pressure 4.13E-07 mm Hg 25 EST
Henry's Law Constant 2.22E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-10 cm3/molecule-sec 25 EST

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