N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide

• ChemBase ID: 487076
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: n1(c(=O)cccc1C)CCC(=O)N(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)CCn1c(C)cccc1=O)Cc1onc(c1)c1ccccc1
• InChI: InChI=1S/C20H21N3O3/c1-15-7-6-10-20(25)23(15)12-11-19(24)22(2)14-17-13-18(21-26-17)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3
• InChIKey: PIKXJULTHTUHAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
• IUPAC Traditional name: N-methyl-3-(2-methyl-6-oxopyridin-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
• Synonyms: N-methyl-3-(6-methyl-2-oxo-1(2H)-pyridinyl)-N-[(3-phenyl-5-isoxazolyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8401111
• LogD (pH = 7.4): 1.8401116
• Log P: 1.8401116
• Molar Refractivity: 101.857 cm^3
• Polarizability: 38.72043 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.98
• LOG S: -2.6
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 6