3-(1-benzyl-1H-imidazol-2-yl)-1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine

• ChemBase ID: 673606
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(C(=O)N2CC(c3n(ccn3)Cc3ccccc3)CCC2)c(onc1C)C
• Canonical SMILES: Cc1onc(c1C(=O)N1CCCC(C1)c1nccn1Cc1ccccc1)C
• InChI: InChI=1S/C21H24N4O2/c1-15-19(16(2)27-23-15)21(26)25-11-6-9-18(14-25)20-22-10-12-24(20)13-17-7-4-3-5-8-17/h3-5,7-8,10,12,18H,6,9,11,13-14H2,1-2H3
• InChIKey: RFWGCULKTDCXFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-(dimethyl-1,2-oxazole-4-carbonyl)piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6977162
• LogD (pH = 7.4): 2.3185353
• Log P: 2.3450687
• Molar Refractivity: 104.66 cm^3
• Polarizability: 38.923733 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.18
• LOG S: -2.87
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 4