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Substance Name: 2-Oxazolamine, 4,5-dihydro-5-((4-(3-methylphenyl)-1-piperazinyl)methyl)-
RN: 144881-39-0
InChIKey: XTEZFEOTYNRMGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N4-O

Molecular Weight

  • 274.366
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-5-((4-(3-methylphenyl)-1-piperazinyl)methyl)-2-oxazolamine
  • BRN 5444294

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 144881-39-0

System Generated Number

  • 0144881390

Structure Descriptors

InChI

1S/C15H22N4O/c1-12-2-4-13(5-3-12)19-8-6-18(7-9-19)11-14-10-17-15(16)20-14/h2-5,14H,6-11H2,1H3,(H2,16,17)

InChIKey

XTEZFEOTYNRMGX-UHFFFAOYSA-N

Smiles

C1(=NC[C@@H](O1)CN1CCN(CC1)c1ccc(cc1)C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 462mg/kg (462mg/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) 1.23 (none)   EXP
Water Solubility 1540 mg/L 25 EST
Vapor Pressure 3.93E-07 mm Hg 25 EST
Henry's Law Constant 1.27E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.32E-10 cm3/molecule-sec 25 EST

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