N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

• ChemBase ID: 385214
• Molecular Formular: C22H29N3O4
• Molecular Mass: 399.48336
• Monoisotopic Mass: 399.21580642
• SMILES: C1(C(C1C(=O)NCc1nc(oc1C)c1cc(NC(=O)COC)ccc1)(C)C)(C)C
• Canonical SMILES: COCC(=O)Nc1cccc(c1)c1oc(c(n1)CNC(=O)C1C(C1(C)C)(C)C)C
• InChI: InChI=1S/C22H29N3O4/c1-13-16(11-23-19(27)18-21(2,3)22(18,4)5)25-20(29-13)14-8-7-9-15(10-14)24-17(26)12-28-6/h7-10,18H,11-12H2,1-6H3,(H,23,27)(H,24,26)
• InChIKey: OIBQLJNLDOBIEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
• IUPAC Traditional name: N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
• Synonyms: N-[(2-{3-[(methoxyacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.702043
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1830685
• LogD (pH = 7.4): 2.1830711
• Log P: 2.1830733
• Molar Refractivity: 121.1767 cm^3
• Polarizability: 42.821823 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.73
• LOG S: -4.93
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 6