dipropyl({4-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}methyl)amine

• ChemBase ID: 474039
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: n1c(noc1c1ccc(CN(CCC)CCC)cc1)c1nnccc1
• Canonical SMILES: CCCN(Cc1ccc(cc1)c1onc(n1)c1cccnn1)CCC
• InChI: InChI=1S/C19H23N5O/c1-3-12-24(13-4-2)14-15-7-9-16(10-8-15)19-21-18(23-25-19)17-6-5-11-20-22-17/h5-11H,3-4,12-14H2,1-2H3
• InChIKey: CEJNFEUUIOWUSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipropyl({4-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}methyl)amine
• IUPAC Traditional name: dipropyl({4-[3-(pyridazin-3-yl)-1,2,4-oxadiazol-5-yl]phenyl}methyl)amine
• Synonyms: N-propyl-N-{4-[3-(3-pyridazinyl)-1,2,4-oxadiazol-5-yl]benzyl}-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.31777352
• LogD (pH = 7.4): 1.6244544
• Log P: 3.8360121
• Molar Refractivity: 121.6091 cm^3
• Polarizability: 38.656475 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.99
• LOG S: -4.06
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 8