N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(1-methyl-1H-indol-3-yl)acetamide

• ChemBase ID: 562954
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)N[C@@H]1[C@H](Cc2onc(c2)C)COC1
• Canonical SMILES: O=C(Cc1cn(c2c1cccc2)C)N[C@H]1COC[C@H]1Cc1onc(c1)C
• InChI: InChI=1S/C20H23N3O3/c1-13-7-16(26-22-13)8-15-11-25-12-18(15)21-20(24)9-14-10-23(2)19-6-4-3-5-17(14)19/h3-7,10,15,18H,8-9,11-12H2,1-2H3,(H,21,24)/t15-,18+/m1/s1
• InChIKey: OJNAAYXAUUKKCW-QAPCUYQASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(1-methyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-(1-methylindol-3-yl)acetamide
• Synonyms: 2-(1-methyl-1H-indol-3-yl)-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.105005
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.569092
• LogD (pH = 7.4): 1.5690973
• Log P: 1.5690974
• Molar Refractivity: 98.8552 cm^3
• Polarizability: 38.684944 Å^3
• Polar Surface Area: 69.29 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: 1.07
• LOG S: -2.69
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 5