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

• ChemBase ID: 724830
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)NC1CCCCC1
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C18H22N2O4/c1-22-14-8-5-9-15(10-14)23-12-17-20-16(11-24-17)18(21)19-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7,12H2,1H3,(H,19,21)
• InChIKey: KXMIHGSBXFJARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.33686
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6568713
• LogD (pH = 7.4): 2.656867
• Log P: 2.6568716
• Molar Refractivity: 88.2507 cm^3
• Polarizability: 34.12898 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.44
• LOG S: -3.91
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 5