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

• ChemBase ID: 580838
• Molecular Formular: C20H22N2O5
• Molecular Mass: 370.39908
• Monoisotopic Mass: 370.15287181
• SMILES: c1(C(=O)N(C(C2CC2)C2CC2)C)nc(oc1)COc1cc2c(OCO2)cc1
• Canonical SMILES: CN(C(=O)c1coc(n1)COc1ccc2c(c1)OCO2)C(C1CC1)C1CC1
• InChI: InChI=1S/C20H22N2O5/c1-22(19(12-2-3-12)13-4-5-13)20(23)15-9-25-18(21-15)10-24-14-6-7-16-17(8-14)27-11-26-16/h6-9,12-13,19H,2-5,10-11H2,1H3
• InChIKey: WUNOWMDSTJKFCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4831033
• LogD (pH = 7.4): 2.4831033
• Log P: 2.4831033
• Molar Refractivity: 94.9911 cm^3
• Polarizability: 37.06909 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.73
• LOG S: -2.91
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 7