3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[(dimethyl-1,2-oxazol-4-yl)methyl]piperidine

• ChemBase ID: 682031
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: c1(c(onc1C)C)CN1CC(c2n(ccn2)CC2CCC2)CCC1
• Canonical SMILES: Cc1onc(c1CN1CCCC(C1)c1nccn1CC1CCC1)C
• InChI: InChI=1S/C19H28N4O/c1-14-18(15(2)24-21-14)13-22-9-4-7-17(12-22)19-20-8-10-23(19)11-16-5-3-6-16/h8,10,16-17H,3-7,9,11-13H2,1-2H3
• InChIKey: KLVKBIHENKDIFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[(dimethyl-1,2-oxazol-4-yl)methyl]piperidine
• IUPAC Traditional name: 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(dimethyl-1,2-oxazol-4-yl)methyl]piperidine
• Synonyms: 3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[(3,5-dimethyl-4-isoxazolyl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.85954064
• LogD (pH = 7.4): 1.2128979
• Log P: 2.4891458
• Molar Refractivity: 96.2613 cm^3
• Polarizability: 36.407413 Å^3
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.24
• LOG S: -2.5
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5