5-(methoxymethyl)-N-[4-(5-methyl-4-{[2-(morpholin-4-yl)propanamido]methyl}-1,3-oxazol-2-yl)phenyl]furan-2-carboxamide

• ChemBase ID: 349829
• Molecular Formular: C25H30N4O6
• Molecular Mass: 482.5289
• Monoisotopic Mass: 482.2165347
• SMILES: n1c(oc(c1CNC(=O)C(N1CCOCC1)C)C)c1ccc(NC(=O)c2oc(cc2)COC)cc1
• Canonical SMILES: COCc1ccc(o1)C(=O)Nc1ccc(cc1)c1nc(c(o1)C)CNC(=O)C(N1CCOCC1)C
• InChI: InChI=1S/C25H30N4O6/c1-16(29-10-12-33-13-11-29)23(30)26-14-21-17(2)34-25(28-21)18-4-6-19(7-5-18)27-24(31)22-9-8-20(35-22)15-32-3/h4-9,16H,10-15H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: KKKAEJGKHPJMGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-[4-(5-methyl-4-{[2-(morpholin-4-yl)propanamido]methyl}-1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
• IUPAC Traditional name: 5-(methoxymethyl)-N-[4-(5-methyl-4-{[2-(morpholin-4-yl)propanamido]methyl}-1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
• Synonyms: 5-(methoxymethyl)-N-{4-[5-methyl-4-({[2-(4-morpholinyl)propanoyl]amino}methyl)-1,3-oxazol-2-yl]phenyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.96176
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.0731633
• LogD (pH = 7.4): 1.3501412
• Log P: 1.3552272
• Molar Refractivity: 140.7801 cm^3
• Polarizability: 49.675873 Å^3
• Polar Surface Area: 119.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 2
• Log P: 1.25
• LOG S: -3.62
• Polar Surface Area: 119.07 Å^2
• Rotatable Bonds: 8