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

• ChemBase ID: 766516
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(noc(c1)CN(Cc1ccccc1)C)C(=O)N(Cc1cocc1)C
• Canonical SMILES: CN(Cc1onc(c1)C(=O)N(Cc1cocc1)C)Cc1ccccc1
• InChI: InChI=1S/C19H21N3O3/c1-21(11-15-6-4-3-5-7-15)13-17-10-18(20-25-17)19(23)22(2)12-16-8-9-24-14-16/h3-10,14H,11-13H2,1-2H3
• InChIKey: TWKYGZMIJVMXML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90867966
• LogD (pH = 7.4): 2.3098776
• Log P: 2.4722235
• Molar Refractivity: 96.1586 cm^3
• Polarizability: 35.94015 Å^3
• Polar Surface Area: 62.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.86
• LOG S: -2.41
• Polar Surface Area: 62.72 Å^2
• Rotatable Bonds: 7