2-(4-methoxyphenoxymethyl)-N-methyl-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 502690
• Molecular Formular: C16H18N2O4
• Molecular Mass: 302.32512
• Monoisotopic Mass: 302.12665707
• SMILES: c1(nc(oc1)COc1ccc(cc1)OC)C(=O)N(CC=C)C
• Canonical SMILES: C=CCN(C(=O)c1coc(n1)COc1ccc(cc1)OC)C
• InChI: InChI=1S/C16H18N2O4/c1-4-9-18(2)16(19)14-10-22-15(17-14)11-21-13-7-5-12(20-3)6-8-13/h4-8,10H,1,9,11H2,2-3H3
• InChIKey: WGKNCVUQQGRDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide
• Synonyms: N-allyl-2-[(4-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8125268
• LogD (pH = 7.4): 1.8125268
• Log P: 1.8125268
• Molar Refractivity: 81.2959 cm^3
• Polarizability: 30.931791 Å^3
• Polar Surface Area: 64.8 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: 0.43
• LOG S: -1.77
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7