N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)acetamide

• ChemBase ID: 349751
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: c1(nc(c(o1)C)CNC(=O)C)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1c1nc(c(o1)C)CNC(=O)C)CC1CCCC1
• InChI: InChI=1S/C20H25N3O3/c1-13-18(12-21-14(2)24)23-20(26-13)16-9-5-6-10-17(16)22-19(25)11-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: HZXQOPZGHOYEFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)acetamide
• IUPAC Traditional name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)acetamide
• Synonyms: N-(2-{4-[(acetylamino)methyl]-5-methyl-1,3-oxazol-2-yl}phenyl)-2-cyclopentylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.733554
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.260798
• LogD (pH = 7.4): 2.2607992
• Log P: 2.260801
• Molar Refractivity: 110.453 cm^3
• Polarizability: 38.442516 Å^3
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.19
• LOG S: -4.41
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 6