3-ethyl-1-(3-methoxy-4-methylphenyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea

• ChemBase ID: 613298
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: n1c(noc1CCC)CN(C(=O)Nc1cc(c(cc1)C)OC)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)Nc1ccc(c(c1)OC)C)CC
• InChI: InChI=1S/C17H24N4O3/c1-5-7-16-19-15(20-24-16)11-21(6-2)17(22)18-13-9-8-12(3)14(10-13)23-4/h8-10H,5-7,11H2,1-4H3,(H,18,22)
• InChIKey: LBSFLXGMTTVROW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-(3-methoxy-4-methylphenyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
• IUPAC Traditional name: 3-ethyl-1-(3-methoxy-4-methylphenyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
• Synonyms: N-ethyl-N'-(3-methoxy-4-methylphenyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.343839
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4513736
• LogD (pH = 7.4): 3.451373
• Log P: 3.4513736
• Molar Refractivity: 94.0521 cm^3
• Polarizability: 34.490067 Å^3
• Polar Surface Area: 80.49 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: 3.14
• LOG S: -4.3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 7