(cyclobutylmethyl)(oxolan-2-ylmethyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amine

• ChemBase ID: 500076
• Molecular Formular: C16H27N3O2
• Molecular Mass: 293.40448
• Monoisotopic Mass: 293.21032712
• SMILES: n1c(onc1CCC)CN(CC1OCCC1)CC1CCC1
• Canonical SMILES: CCCc1noc(n1)CN(CC1CCCO1)CC1CCC1
• InChI: InChI=1S/C16H27N3O2/c1-2-5-15-17-16(21-18-15)12-19(10-13-6-3-7-13)11-14-8-4-9-20-14/h13-14H,2-12H2,1H3
• InChIKey: AINUODGHLQMHCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclobutylmethyl)(oxolan-2-ylmethyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amine
• IUPAC Traditional name: (cyclobutylmethyl)(oxolan-2-ylmethyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amine
• Synonyms: (cyclobutylmethyl)[(3-propyl-1,2,4-oxadiazol-5-yl)methyl](tetrahydro-2-furanylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1120434
• LogD (pH = 7.4): 2.6857731
• Log P: 2.963629
• Molar Refractivity: 83.1938 cm^3
• Polarizability: 31.90651 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.87
• LOG S: -1.71
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6