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

• ChemBase ID: 453652
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)CC)CC2)c(onc1C)C
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)C(=O)c1c(C)noc1C
• InChI: InChI=1S/C16H22N4O2/c1-4-19-10-7-17-15(19)13-5-8-20(9-6-13)16(21)14-11(2)18-22-12(14)3/h7,10,13H,4-6,8-9H2,1-3H3
• InChIKey: HLVNDQQUSFXLPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1389804
• LogD (pH = 7.4): 0.790695
• Log P: 0.821496
• Molar Refractivity: 84.95 cm^3
• Polarizability: 31.202047 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.11
• LOG S: -2.62
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3