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

• ChemBase ID: 496244
• Molecular Formular: C27H22N4O5
• Molecular Mass: 482.48738
• Monoisotopic Mass: 482.15901982
• SMILES: c1(c(noc1C)c1ccccc1)C(=O)NCc1nc(oc1C)c1ccc(NC(=O)c2cocc2)cc1
• Canonical SMILES: Cc1oc(nc1CNC(=O)c1c(C)onc1c1ccccc1)c1ccc(cc1)NC(=O)c1cocc1
• InChI: InChI=1S/C27H22N4O5/c1-16-22(14-28-26(33)23-17(2)36-31-24(23)18-6-4-3-5-7-18)30-27(35-16)19-8-10-21(11-9-19)29-25(32)20-12-13-34-15-20/h3-13,15H,14H2,1-2H3,(H,28,33)(H,29,32)
• InChIKey: CPPIJSVXHQIFRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[4-(furan-3-amido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: N-({2-[4-(furan-3-amido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
• Synonyms: N-({2-[4-(3-furoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.810189
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.8490367
• LogD (pH = 7.4): 3.8490267
• Log P: 3.849043
• Molar Refractivity: 144.487 cm^3
• Polarizability: 50.80211 Å^3
• Polar Surface Area: 123.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 3.03
• LOG S: -7.02
• Polar Surface Area: 123.4 Å^2
• Rotatable Bonds: 7