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

• ChemBase ID: 575406
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: n1c(coc1C)CN1C(CCn2nccc2)CCCC1
• Canonical SMILES: Cc1occ(n1)CN1CCCCC1CCn1cccn1
• InChI: InChI=1S/C15H22N4O/c1-13-17-14(12-20-13)11-18-8-3-2-5-15(18)6-10-19-9-4-7-16-19/h4,7,9,12,15H,2-3,5-6,8,10-11H2,1H3
• InChIKey: HUTIPFVHSSNVPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0030304
• LogD (pH = 7.4): 0.7246484
• Log P: 1.2607445
• Molar Refractivity: 88.8986 cm^3
• Polarizability: 29.922607 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: 0.91
• LOG S: -0.97
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5