2-[({1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl}oxy)methyl]pyridine

• ChemBase ID: 862999
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(C(=O)N2CC(OCc3ncccc3)CCC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CCCC(C1)OCc1ccccn1)C
• InChI: InChI=1S/C19H25N3O3/c1-14(2)10-16-11-18(25-21-16)19(23)22-9-5-7-17(12-22)24-13-15-6-3-4-8-20-15/h3-4,6,8,11,14,17H,5,7,9-10,12-13H2,1-2H3
• InChIKey: PBNMGGQGOFLJTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[({1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl}oxy)methyl]pyridine
• IUPAC Traditional name: 2-[({1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperidin-3-yl}oxy)methyl]pyridine
• Synonyms: 2-[({1-[(3-isobutyl-5-isoxazolyl)carbonyl]-3-piperidinyl}oxy)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.118
• LogD (pH = 7.4): 2.1260366
• Log P: 2.12614
• Molar Refractivity: 94.8055 cm^3
• Polarizability: 36.164936 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.64
• LOG S: -0.95
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6