1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-methyl-4-(2-methylphenyl)piperazine

• ChemBase ID: 489971
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(C(=O)N2C(CN(c3c(C)cccc3)CC2)C)c(c(on1)C)COC
• Canonical SMILES: COCc1c(C)onc1C(=O)N1CCN(CC1C)c1ccccc1C
• InChI: InChI=1S/C19H25N3O3/c1-13-7-5-6-8-17(13)21-9-10-22(14(2)11-21)19(23)18-16(12-24-4)15(3)25-20-18/h5-8,14H,9-12H2,1-4H3
• InChIKey: FRNYKTWNALHKEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-methyl-4-(2-methylphenyl)piperazine
• IUPAC Traditional name: 1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-methyl-4-(2-methylphenyl)piperazine
• Synonyms: 1-{[4-(methoxymethyl)-5-methylisoxazol-3-yl]carbonyl}-2-methyl-4-(2-methylphenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7567563
• LogD (pH = 7.4): 2.7651007
• Log P: 2.7652082
• Molar Refractivity: 98.7252 cm^3
• Polarizability: 36.28445 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.65
• LOG S: -2.26
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 4