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

• ChemBase ID: 594514
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: c1(c(onc1C)C)CN1CC(c2n(CC3CC3)ccn2)CCC1
• Canonical SMILES: Cc1onc(c1CN1CCCC(C1)c1nccn1CC1CC1)C
• InChI: InChI=1S/C18H26N4O/c1-13-17(14(2)23-20-13)12-21-8-3-4-16(11-21)18-19-7-9-22(18)10-15-5-6-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3
• InChIKey: ROSNVDJHKYPWQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[(dimethyl-1,2-oxazol-4-yl)methyl]piperidine
• IUPAC Traditional name: 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(dimethyl-1,2-oxazol-4-yl)methyl]piperidine
• Synonyms: 3-[1-(cyclopropylmethyl)-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): -1.3041093
• LogD (pH = 7.4): 0.76832926
• Log P: 2.0445771
• Molar Refractivity: 91.6603 cm^3
• Polarizability: 34.567055 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: 1.68
• LOG S: -1.92
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5