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Substance Name: 2-Oxazolamine, 4,5-dihydro-N-(5-nitro-2-thiazolyl)-4,4,5,5-tetramethyl-
RN: 24229-59-2
InChIKey: BMKUWMJGWIUSDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O3-S

Molecular Weight

  • 270.3116
 
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Names and Synonyms

Synonyms

  • 2-(4,4,5,5-Tetramethyl-1,3-oxazolidinyliden-(2)-amino)-5-nitrothiazol
  • 2-(4,4,5,5-Tetramethyl-1,3-oxazolidinyliden-(2)-amino)-5-nitrothiazol [German]
  • 4,5-Dihydro-N-(5-nitro-2-thiazolyl)-4,4,5,5-tetramethyl-2-oxazolamine
  • BRN 5389700

Systematic Name

  • 2-Oxazolamine, 4,5-dihydro-N-(5-nitro-2-thiazolyl)-4,4,5,5-tetramethyl-

Registry Numbers

CAS Registry Number

  • 24229-59-2

System Generated Number

  • 0024229592

Structure Descriptors

InChI

1S/C10H14N4O3S/c1-9(2)10(3,4)17-7(13-9)12-8-11-5-6(18-8)14(15)16/h5H,1-4H3,(H,11,12,13)

InChIKey

BMKUWMJGWIUSDY-UHFFFAOYSA-N

Smiles

CC1(C(O/C(=N/c2ncc(s2)[N+](=O)[O-])/N1)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 50mg/kg (50mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1045, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.4 (none)   EXP
Water Solubility 674 mg/L 25 EST
Vapor Pressure 9.41E-07 mm Hg 25 EST
Henry's Law Constant 1.24E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.44E-11 cm3/molecule-sec 25 EST

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