N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 851915
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(nc(oc1)COc1ccccc1)C(=O)N(CC1CN(CCC1)C)C
• Canonical SMILES: CN1CCCC(C1)CN(C(=O)c1coc(n1)COc1ccccc1)C
• InChI: InChI=1S/C19H25N3O3/c1-21-10-6-7-15(11-21)12-22(2)19(23)17-13-25-18(20-17)14-24-16-8-4-3-5-9-16/h3-5,8-9,13,15H,6-7,10-12,14H2,1-2H3
• InChIKey: PGFPCLZHLAGHRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-methyl-N-[(1-methyl-3-piperidinyl)methyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.308575
• LogD (pH = 7.4): 0.3726068
• Log P: 1.7679119
• Molar Refractivity: 95.8403 cm^3
• Polarizability: 36.796215 Å^3
• Polar Surface Area: 58.81 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: 1.8
• LOG S: -1.56
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6