N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(3-methylphenyl)benzamide

• ChemBase ID: 777405
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: C(=O)(c1c(c2cc(ccc2)C)cccc1)N[C@@H]1[C@H](Cc2onc(c2)C)COC1
• Canonical SMILES: Cc1cccc(c1)c1ccccc1C(=O)N[C@H]1COC[C@H]1Cc1onc(c1)C
• InChI: InChI=1S/C23H24N2O3/c1-15-6-5-7-17(10-15)20-8-3-4-9-21(20)23(26)24-22-14-27-13-18(22)12-19-11-16(2)25-28-19/h3-11,18,22H,12-14H2,1-2H3,(H,24,26)/t18-,22+/m1/s1
• InChIKey: BYANBPIFOUXSJB-GCJKJVERSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(3-methylphenyl)benzamide
• IUPAC Traditional name: N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(3-methylphenyl)benzamide
• Synonyms: 3'-methyl-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}biphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.527795
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4271352
• LogD (pH = 7.4): 3.4271407
• Log P: 3.4271407
• Molar Refractivity: 108.998 cm^3
• Polarizability: 42.382687 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.98
• LOG S: -4.49
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 5