N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 603539
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: c12n(cc(n1)CNC(=O)c1noc(c1)CN1CCOCC1)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CNC(=O)c1noc(c1)CN1CCOCC1
• InChI: InChI=1S/C18H21N5O3/c1-13-2-3-23-11-14(20-17(23)8-13)10-19-18(24)16-9-15(26-21-16)12-22-4-6-25-7-5-22/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,19,24)
• InChIKey: LDFKXWCPAAMNNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(morpholin-4-ylmethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.056074
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.17919971
• LogD (pH = 7.4): 0.5288402
• Log P: 0.54652536
• Molar Refractivity: 97.6078 cm^3
• Polarizability: 36.053875 Å^3
• Polar Surface Area: 84.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.64
• LOG S: -2.56
• Polar Surface Area: 84.9 Å^2
• Rotatable Bonds: 5