2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide

• ChemBase ID: 326677
• Molecular Formular: C19H17FN4O3
• Molecular Mass: 368.3616832
• Monoisotopic Mass: 368.12846864
• SMILES: c1(c([nH]c2c1cc(cc2)F)C)CC(=O)N(Cc1ncoc1)Cc1ncoc1
• Canonical SMILES: Fc1ccc2c(c1)c(CC(=O)N(Cc1cocn1)Cc1cocn1)c([nH]2)C
• InChI: InChI=1S/C19H17FN4O3/c1-12-16(17-4-13(20)2-3-18(17)23-12)5-19(25)24(6-14-8-26-10-21-14)7-15-9-27-11-22-15/h2-4,8-11,23H,5-7H2,1H3
• InChIKey: MZJOIOINHJMKFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
• IUPAC Traditional name: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
• Synonyms: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.332981
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1880996
• LogD (pH = 7.4): 1.1881016
• Log P: 1.1881016
• Molar Refractivity: 95.0334 cm^3
• Polarizability: 36.708122 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.86
• LOG S: -2.62
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 6