5-methoxy-1-methyl-2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl}-1H-indole

• ChemBase ID: 528585
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N1CCN(Cc2nc(on2)C)CC1
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)N1CCN(CC1)Cc1noc(n1)C
• InChI: InChI=1S/C19H23N5O3/c1-13-20-18(21-27-13)12-23-6-8-24(9-7-23)19(25)17-11-14-10-15(26-3)4-5-16(14)22(17)2/h4-5,10-11H,6-9,12H2,1-3H3
• InChIKey: SWXWDWJXOBOLGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1-methyl-2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl}-1H-indole
• IUPAC Traditional name: 5-methoxy-1-methyl-2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl}indole
• Synonyms: 5-methoxy-1-methyl-2-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperazinyl}carbonyl)-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2883145
• LogD (pH = 7.4): 1.3081219
• Log P: 1.3083805
• Molar Refractivity: 102.4839 cm^3
• Polarizability: 39.1264 Å^3
• Polar Surface Area: 76.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.25
• LOG S: -3.42
• Polar Surface Area: 76.63 Å^2
• Rotatable Bonds: 4