dimethyl[3-({5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-yl}oxy)propyl]amine

• ChemBase ID: 683520
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(nnc(o1)C)c1c(c2cnc(cc2)OCCCN(C)C)cccc1
• Canonical SMILES: CN(CCCOc1ccc(cn1)c1ccccc1c1nnc(o1)C)C
• InChI: InChI=1S/C19H22N4O2/c1-14-21-22-19(25-14)17-8-5-4-7-16(17)15-9-10-18(20-13-15)24-12-6-11-23(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3
• InChIKey: ULQLCIWURWDVTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-({5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-yl}oxy)propyl]amine
• IUPAC Traditional name: dimethyl[3-({5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-yl}oxy)propyl]amine
• Synonyms: N,N-dimethyl-3-({5-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-yl}oxy)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2624234
• LogD (pH = 7.4): 0.19452867
• Log P: 2.047464
• Molar Refractivity: 109.1664 cm^3
• Polarizability: 38.96287 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.15
• LOG S: -1.64
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 7