methyl 2-[(5-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}pyridin-2-yl)(methyl)amino]acetate

• ChemBase ID: 643753
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: n1c(onc1Cc1ccc(cc1)OC)c1cnc(N(CC(=O)OC)C)cc1
• Canonical SMILES: COC(=O)CN(c1ccc(cn1)c1onc(n1)Cc1ccc(cc1)OC)C
• InChI: InChI=1S/C19H20N4O4/c1-23(12-18(24)26-3)17-9-6-14(11-20-17)19-21-16(22-27-19)10-13-4-7-15(25-2)8-5-13/h4-9,11H,10,12H2,1-3H3
• InChIKey: VGZLLOOZLKLZDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(5-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}pyridin-2-yl)(methyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(5-{3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl}pyridin-2-yl)(methyl)amino]acetate
• Synonyms: methyl N-{5-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.1719875
• LogD (pH = 7.4): 3.1720867
• Log P: 3.172088
• Molar Refractivity: 111.0241 cm^3
• Polarizability: 37.979305 Å^3
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.49
• LOG S: -4.17
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 6