3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

• ChemBase ID: 330440
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: n1c(noc1CN(C(=O)CCN1CCCCCCC1)C)c1ccccc1
• Canonical SMILES: CN(C(=O)CCN1CCCCCCC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H28N4O2/c1-23(19(25)12-15-24-13-8-3-2-4-9-14-24)16-18-21-20(22-26-18)17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
• InChIKey: PLRSKCADQIHHTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• IUPAC Traditional name: 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• Synonyms: 3-azocan-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.29629126
• LogD (pH = 7.4): 0.7938064
• Log P: 3.2773547
• Molar Refractivity: 113.6985 cm^3
• Polarizability: 39.816845 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.42
• LOG S: -4.72
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6