1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidine

• ChemBase ID: 666080
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(c(cn[nH]1)c1ccccc1)C1CN(Cc2nc(oc2)C)CCC1
• Canonical SMILES: Cc1occ(n1)CN1CCCC(C1)c1[nH]ncc1c1ccccc1
• InChI: InChI=1S/C19H22N4O/c1-14-21-17(13-24-14)12-23-9-5-8-16(11-23)19-18(10-20-22-19)15-6-3-2-4-7-15/h2-4,6-7,10,13,16H,5,8-9,11-12H2,1H3,(H,20,22)
• InChIKey: FCSPGUWHFVAMBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidine
• IUPAC Traditional name: 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(4-phenyl-2H-pyrazol-3-yl)piperidine
• Synonyms: 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(4-phenyl-1H-pyrazol-5-yl)piperidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.399267
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19245042
• LogD (pH = 7.4): 1.5557407
• Log P: 2.1672733
• Molar Refractivity: 94.6935 cm^3
• Polarizability: 37.201572 Å^3
• Polar Surface Area: 57.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -2.47
• Polar Surface Area: 57.95 Å^2
• Rotatable Bonds: 4