5-{[benzyl(methyl)amino]methyl}-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 516321
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(C(=O)N(C2(CC2)COC)C)noc(c1)CN(Cc1ccccc1)C
• Canonical SMILES: COCC1(CC1)N(C(=O)c1noc(c1)CN(Cc1ccccc1)C)C
• InChI: InChI=1S/C19H25N3O3/c1-21(12-15-7-5-4-6-8-15)13-16-11-17(20-25-16)18(23)22(2)19(9-10-19)14-24-3/h4-8,11H,9-10,12-14H2,1-3H3
• InChIKey: LVQXHWXVESXSEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[benzyl(methyl)amino]methyl}-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-{[benzyl(methyl)amino]methyl}-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,2-oxazole-3-carboxamide
• Synonyms: 5-{[benzyl(methyl)amino]methyl}-N-[1-(methoxymethyl)cyclopropyl]-N-methylisoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.38642684
• LogD (pH = 7.4): 1.7875518
• Log P: 1.9498627
• Molar Refractivity: 97.1769 cm^3
• Polarizability: 36.814217 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.06
• LOG S: -2.96
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 8