3-ethyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 758461
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(C(=O)N(CC2OCCC2)CCOc2ccccc2)onc(c1)CC
• Canonical SMILES: CCc1noc(c1)C(=O)N(CC1CCCO1)CCOc1ccccc1
• InChI: InChI=1S/C19H24N2O4/c1-2-15-13-18(25-20-15)19(22)21(14-17-9-6-11-23-17)10-12-24-16-7-4-3-5-8-16/h3-5,7-8,13,17H,2,6,9-12,14H2,1H3
• InChIKey: HPZLHLAFXLLQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: 3-ethyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-1,2-oxazole-5-carboxamide
• Synonyms: 3-ethyl-N-(2-phenoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)isoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4503286
• LogD (pH = 7.4): 2.4503293
• Log P: 2.4503293
• Molar Refractivity: 94.2746 cm^3
• Polarizability: 35.910385 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.01
• LOG S: -2.57
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8