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

• ChemBase ID: 361960
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(noc1CN1CCC(C(c2n(ccn2)C)O)CC1)c1ccccc1
• Canonical SMILES: OC(c1nccn1C)C1CCN(CC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H23N5O2/c1-23-12-9-20-19(23)17(25)14-7-10-24(11-8-14)13-16-21-18(22-26-16)15-5-3-2-4-6-15/h2-6,9,12,14,17,25H,7-8,10-11,13H2,1H3
• InChIKey: JEELUNYHHZRIKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.328707
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.28569224
• LogD (pH = 7.4): 1.9808418
• Log P: 2.163577
• Molar Refractivity: 110.0336 cm^3
• Polarizability: 38.18915 Å^3
• Polar Surface Area: 80.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.64
• LOG S: -3.12
• Polar Surface Area: 80.21 Å^2
• Rotatable Bonds: 5