N-(cyclohexylmethyl)-2-(4-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 685239
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(nc(oc1)COc1ccc(cc1)OC)C(=O)NCC1CCCCC1
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)NCC1CCCCC1
• InChI: InChI=1S/C19H24N2O4/c1-23-15-7-9-16(10-8-15)24-13-18-21-17(12-25-18)19(22)20-11-14-5-3-2-4-6-14/h7-10,12,14H,2-6,11,13H2,1H3,(H,20,22)
• InChIKey: DQNWSHVRSPEWPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.21435
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.971884
• LogD (pH = 7.4): 2.9718783
• Log P: 2.9718843
• Molar Refractivity: 92.9815 cm^3
• Polarizability: 35.962803 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.06
• LOG S: -4.39
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 6