2-(2-ethoxyphenyl)-5-methyl-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole

• ChemBase ID: 860366
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(nc(c(o1)C)Cn1c(ncc1)CCC)c1c(OCC)cccc1
• Canonical SMILES: CCCc1nccn1Cc1nc(oc1C)c1ccccc1OCC
• InChI: InChI=1S/C19H23N3O2/c1-4-8-18-20-11-12-22(18)13-16-14(3)24-19(21-16)15-9-6-7-10-17(15)23-5-2/h6-7,9-12H,4-5,8,13H2,1-3H3
• InChIKey: ZWGGHHGJNHFGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyphenyl)-5-methyl-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
• IUPAC Traditional name: 2-(2-ethoxyphenyl)-5-methyl-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
• Synonyms: 2-(2-ethoxyphenyl)-5-methyl-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5363252
• LogD (pH = 7.4): 3.3440995
• Log P: 3.5179257
• Molar Refractivity: 103.841 cm^3
• Polarizability: 36.326393 Å^3
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.57
• LOG S: -4.62
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 7