N-[(2-{4-[5-(methoxymethyl)furan-2-amido]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 530319
• Molecular Formular: C26H23N5O5
• Molecular Mass: 485.49132
• Monoisotopic Mass: 485.16991886
• SMILES: c1(nc2n(c1)cccc2)C(=O)NCc1nc(oc1C)c1ccc(NC(=O)c2oc(cc2)COC)cc1
• Canonical SMILES: COCc1ccc(o1)C(=O)Nc1ccc(cc1)c1oc(c(n1)CNC(=O)c1nc2n(c1)cccc2)C
• InChI: InChI=1S/C26H23N5O5/c1-16-20(13-27-24(32)21-14-31-12-4-3-5-23(31)29-21)30-26(35-16)17-6-8-18(9-7-17)28-25(33)22-11-10-19(36-22)15-34-2/h3-12,14H,13,15H2,1-2H3,(H,27,32)(H,28,33)
• InChIKey: LOZKVJZMTAZHQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-{4-[5-(methoxymethyl)furan-2-amido]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[(2-{4-[5-(methoxymethyl)furan-2-amido]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{[2-(4-{[5-(methoxymethyl)-2-furoyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.963433
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1352246
• LogD (pH = 7.4): 2.1396227
• Log P: 2.1397934
• Molar Refractivity: 143.9596 cm^3
• Polarizability: 49.473305 Å^3
• Polar Surface Area: 123.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 2
• Log P: 2.6
• LOG S: -6.91
• Polar Surface Area: 123.9 Å^2
• Rotatable Bonds: 7