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

• ChemBase ID: 508111
• Molecular Formular: C19H24ClN3O2
• Molecular Mass: 361.86576
• Monoisotopic Mass: 361.1557047
• SMILES: n1c(noc1CN(CC1OCCC1)CC1CCC1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1noc(n1)CN(CC1CCCO1)CC1CCC1
• InChI: InChI=1S/C19H24ClN3O2/c20-16-8-6-15(7-9-16)19-21-18(25-22-19)13-23(11-14-3-1-4-14)12-17-5-2-10-24-17/h6-9,14,17H,1-5,10-13H2
• InChIKey: UPIHPMIQZXAUMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9865135
• LogD (pH = 7.4): 3.7318504
• Log P: 4.3019476
• Molar Refractivity: 109.5574 cm^3
• Polarizability: 38.604248 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.36
• LOG S: -3.2
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 7