3-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy}-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 697831
• Molecular Formular: C23H24N4O4
• Molecular Mass: 420.46106
• Monoisotopic Mass: 420.17975527
• SMILES: c1(C(=O)N2CCC(Oc3cc(C(=O)NCc4cnccc4)ccc3)CC2)c(nco1)C
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C(=O)c1ocnc1C)NCc1cccnc1
• InChI: InChI=1S/C23H24N4O4/c1-16-21(30-15-26-16)23(29)27-10-7-19(8-11-27)31-20-6-2-5-18(12-20)22(28)25-14-17-4-3-9-24-13-17/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3,(H,25,28)
• InChIKey: VOWISXRYQCSXAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy}-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: 3-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy}-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: 3-({1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidinyl}oxy)-N-(3-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.503237
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.42530066
• LogD (pH = 7.4): 0.49681556
• Log P: 0.49782917
• Molar Refractivity: 114.5232 cm^3
• Polarizability: 43.071564 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.35
• LOG S: -5.1
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 6