N-cycloheptyl-3-[methyl({[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl})amino]propanamide

• ChemBase ID: 736573
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: n1c(noc1CN(CCC(=O)NC1CCCCCC1)C)c1ccncc1
• Canonical SMILES: CN(Cc1onc(n1)c1ccncc1)CCC(=O)NC1CCCCCC1
• InChI: InChI=1S/C19H27N5O2/c1-24(13-10-17(25)21-16-6-4-2-3-5-7-16)14-18-22-19(23-26-18)15-8-11-20-12-9-15/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,21,25)
• InChIKey: FCZAINQNDJTDBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-3-[methyl({[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl})amino]propanamide
• IUPAC Traditional name: N-cycloheptyl-3-[methyl({[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl})amino]propanamide
• Synonyms: N-cycloheptyl-3-{methyl[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3291855
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.51689833
• LogD (pH = 7.4): 2.0481448
• Log P: 2.2889502
• Molar Refractivity: 110.9161 cm^3
• Polarizability: 38.926674 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.06
• LOG S: -3.57
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 7