5-(2H5)phenyl-4,5-dihydro-1,3-oxazol-2-amine

• ChemBase ID: 160476
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: C1(OC(=NC1)N)c1ccccc1
• Canonical SMILES: NC1=NCC(O1)c1ccccc1
• InChI: InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
• InChIKey: SYAKTDIEAPMBAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(^2H₅)phenyl-4,5-dihydro-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-(^2H₅)phenyl-4,5-dihydro-1,3-oxazol-2-amine
• Synonyms: 4,5-Dihydro-5-(phenyl-d5)-2-oxazolamine; 2-Amino-5-(phenyl-d5)-2-oxazoline; Aminoxafen-d5; Aminoxaphen-d5; Apiquel-d5; CPDD 0039-d5; McN 742-d5; NSC 66592-d5; NSC 66952-d5; Aminorex-d5

Database IDs

• CAS Number: 1246819-51-1
• PubChem SID: 162254611
• PubChem CID: 71313351

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -0.39614096
• LogD (pH = 7.4): 1.1140741
• Log P: 1.4621556
• Molar Refractivity: 45.7481 cm^3
• Polarizability: 17.693865 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 19.475702
• H Acceptors: 3

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 131-133°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - A629202

A labelled metabolite of Levamisole (L331100). Aminorex is an anorectic stimulant drug of the 2-amino-5-aryl oxazoline class. Aminorex has been shown to have locomotor stimulant effects similar to Methamphetamine (M258795).

REFERENCES

• Poos, G., et al.: J. Med. Chem., 6, 266 (1963)
• Watson, A., et al.: Res. Vet. Sci., 45, 411 (1963)
• Russell, B., et al.: Pharmacol. Biochem. Behav., 51, 375 (1963)