2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-N-(dicyclopropylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 843813
• Molecular Formular: C19H20N2O5
• Molecular Mass: 356.3725
• Monoisotopic Mass: 356.13722175
• SMILES: c1(nc(oc1)COc1cc2c(OCO2)cc1)C(=O)NC(C1CC1)C1CC1
• Canonical SMILES: O=C(c1coc(n1)COc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1
• InChI: InChI=1S/C19H20N2O5/c22-19(21-18(11-1-2-11)12-3-4-12)14-8-24-17(20-14)9-23-13-5-6-15-16(7-13)26-10-25-15/h5-8,11-12,18H,1-4,9-10H2,(H,21,22)
• InChIKey: HLMLZQHESFJQSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-N-(dicyclopropylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-[(2H-1,3-benzodioxol-5-yloxy)methyl]-N-(dicyclopropylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(1,3-benzodioxol-5-yloxy)methyl]-N-(dicyclopropylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.329855
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2594273
• LogD (pH = 7.4): 2.2594228
• Log P: 2.2594273
• Molar Refractivity: 90.0944 cm^3
• Polarizability: 35.239517 Å^3
• Polar Surface Area: 82.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.69
• LOG S: -3.49
• Polar Surface Area: 82.82 Å^2
• Rotatable Bonds: 7