N-ethyl-2-(2-fluorophenoxymethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 409838
• Molecular Formular: C18H21FN2O4
• Molecular Mass: 348.3687432
• Monoisotopic Mass: 348.14853538
• SMILES: c1(nc(oc1)COc1c(F)cccc1)C(=O)N(CC1OCCC1)CC
• Canonical SMILES: CCN(C(=O)c1coc(n1)COc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C18H21FN2O4/c1-2-21(10-13-6-5-9-23-13)18(22)15-11-25-17(20-15)12-24-16-8-4-3-7-14(16)19/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3
• InChIKey: FHHUMECZSVIYDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(2-fluorophenoxymethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-ethyl-2-(2-fluorophenoxymethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-ethyl-2-[(2-fluorophenoxy)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.17
• LOG S: -3.19
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 88.8897 cm^3
• Polarizability: 33.878963 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1570473
• LogD (pH = 7.4): 2.1570473
• Log P: 2.1570473