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Substance Name: 2-Oxazolamine, 4,5-dihydro-5-((4-(4-methoxyphenyl)-1-piperazinyl)methyl)-
RN: 132786-14-2
InChIKey: MBLSJHGGVBNRPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N4-O2

Molecular Weight

  • 290.365
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-5-((4-(4-methoxyphenyl)-1-piperazinyl)methyl)-2-oxazolamine
  • BRN 4327760

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132786-14-2

System Generated Number

  • 0132786142

Structure Descriptors

InChI

1S/C15H22N4O2/c1-20-13-4-2-12(3-5-13)19-8-6-18(7-9-19)11-14-10-17-15(16)21-14/h2-5,14H,6-11H2,1H3,(H2,16,17)

InChIKey

MBLSJHGGVBNRPT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 631mg/kg (631mg/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) 0.68 (none)   EXP
Water Solubility 3670 mg/L 25 EST
Vapor Pressure 1.73E-07 mm Hg 25 EST
Henry's Law Constant 6.83E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.80E-10 cm3/molecule-sec 25 EST

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