2-(3-methoxyphenoxymethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 360390
• Molecular Formular: C18H19N3O5
• Molecular Mass: 357.36056
• Monoisotopic Mass: 357.13247072
• SMILES: c1(C(=O)N(C(c2nocc2)C)C)nc(oc1)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N(C(c1nocc1)C)C
• InChI: InChI=1S/C18H19N3O5/c1-12(15-7-8-26-20-15)21(2)18(22)16-10-25-17(19-16)11-24-14-6-4-5-13(9-14)23-3/h4-10,12H,11H2,1-3H3
• InChIKey: YRURTAUFAXZLAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxymethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(3-methoxyphenoxymethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-[1-(3-isoxazolyl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8205315
• LogD (pH = 7.4): 1.8205316
• Log P: 1.8205316
• Molar Refractivity: 92.1595 cm^3
• Polarizability: 34.972767 Å^3
• Polar Surface Area: 90.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.93
• LOG S: -2.12
• Polar Surface Area: 90.83 Å^2
• Rotatable Bonds: 6