N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 559084
• Molecular Formular: C16H21N3O3
• Molecular Mass: 303.35624
• Monoisotopic Mass: 303.15829155
• SMILES: c1(noc(c1)CCC)C(=O)NCc1c(nc(cc1C)C)OC
• Canonical SMILES: CCCc1onc(c1)C(=O)NCc1c(C)cc(nc1OC)C
• InChI: InChI=1S/C16H21N3O3/c1-5-6-12-8-14(19-22-12)15(20)17-9-13-10(2)7-11(3)18-16(13)21-4/h7-8H,5-6,9H2,1-4H3,(H,17,20)
• InChIKey: UBDOZYXSFWBMNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
• Synonyms: N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-propyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.78224
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5264611
• LogD (pH = 7.4): 2.5526428
• Log P: 2.5529888
• Molar Refractivity: 84.2429 cm^3
• Polarizability: 31.221315 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.36
• LOG S: -3.43
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6