1-(2-methyl-5-{3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}phenyl)imidazolidin-2-one

• ChemBase ID: 853172
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1c(onc1CC1CCN(CC1)C)c1cc(N2C(=O)NCC2)c(cc1)C
• Canonical SMILES: CN1CCC(CC1)Cc1noc(n1)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C19H25N5O2/c1-13-3-4-15(12-16(13)24-10-7-20-19(24)25)18-21-17(22-26-18)11-14-5-8-23(2)9-6-14/h3-4,12,14H,5-11H2,1-2H3,(H,20,25)
• InChIKey: COYXPNDXYWCSCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methyl-5-{3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}phenyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(2-methyl-5-{3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl}phenyl)imidazolidin-2-one
• Synonyms: 1-(2-methyl-5-{3-[(1-methyl-4-piperidinyl)methyl]-1,2,4-oxadiazol-5-yl}phenyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.58465
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.73870486
• LogD (pH = 7.4): 0.96862775
• Log P: 2.434842
• Molar Refractivity: 111.326 cm^3
• Polarizability: 38.220722 Å^3
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.66
• LOG S: -3.21
• Polar Surface Area: 74.5 Å^2
• Rotatable Bonds: 4