2-(4-fluorophenoxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 598081
• Molecular Formular: C18H21FN2O4
• Molecular Mass: 348.3687432
• Monoisotopic Mass: 348.14853538
• SMILES: c1(nc(oc1)COc1ccc(F)cc1)C(=O)N(CC1OCCCC1)C
• Canonical SMILES: Fc1ccc(cc1)OCc1occ(n1)C(=O)N(CC1CCCCO1)C
• InChI: InChI=1S/C18H21FN2O4/c1-21(10-15-4-2-3-9-23-15)18(22)16-11-25-17(20-16)12-24-14-7-5-13(19)6-8-14/h5-8,11,15H,2-4,9-10,12H2,1H3
• InChIKey: LMIZBGRWKSFDNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(4-fluorophenoxymethyl)-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(4-fluorophenoxy)methyl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.244808
• LogD (pH = 7.4): 2.244808
• Log P: 2.244808
• Molar Refractivity: 88.7421 cm^3
• Polarizability: 33.87849 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.95
• LOG S: -3.42
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6