2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine

• ChemBase ID: 709379
• Molecular Formular: C18H21N5O4
• Molecular Mass: 371.39044
• Monoisotopic Mass: 371.15935418
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CC(Cc2nc(no2)COC)OCC1
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)C(=O)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C18H21N5O4/c1-12-3-4-16-19-14(10-23(16)8-12)18(24)22-5-6-26-13(9-22)7-17-20-15(11-25-2)21-27-17/h3-4,8,10,13H,5-7,9,11H2,1-2H3
• InChIKey: XAHCMDDZGBIWLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• IUPAC Traditional name: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• Synonyms: 2-[(2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-morpholinyl)carbonyl]-6-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0222696
• LogD (pH = 7.4): 1.0311339
• Log P: 1.0312481
• Molar Refractivity: 98.555 cm^3
• Polarizability: 36.251736 Å^3
• Polar Surface Area: 94.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.51
• LOG S: -2.78
• Polar Surface Area: 94.99 Å^2
• Rotatable Bonds: 5