2-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide

• ChemBase ID: 840169
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: n1c(noc1CN1CC(c2n(CC(=O)N)ccn2)CCC1)c1ccccc1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H22N6O2/c20-16(26)12-25-10-8-21-19(25)15-7-4-9-24(11-15)13-17-22-18(23-27-17)14-5-2-1-3-6-14/h1-3,5-6,8,10,15H,4,7,9,11-13H2,(H2,20,26)
• InChIKey: UTCFNMFNSZRKDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: 2-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl}imidazol-1-yl)acetamide
• Synonyms: 2-(2-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinyl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3615055
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.222324
• LogD (pH = 7.4): 1.0752733
• Log P: 1.6312582
• Molar Refractivity: 111.7961 cm^3
• Polarizability: 38.790245 Å^3
• Polar Surface Area: 103.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.57
• LOG S: -3.21
• Polar Surface Area: 103.07 Å^2
• Rotatable Bonds: 6