(1-phenoxypropan-2-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine

• ChemBase ID: 844746
• Molecular Formular: C18H19N3O2
• Molecular Mass: 309.36236
• Monoisotopic Mass: 309.14772686
• SMILES: n1c(oc(n1)CNC(COc1ccccc1)C)c1ccccc1
• Canonical SMILES: CC(NCc1nnc(o1)c1ccccc1)COc1ccccc1
• InChI: InChI=1S/C18H19N3O2/c1-14(13-22-16-10-6-3-7-11-16)19-12-17-20-21-18(23-17)15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3
• InChIKey: ABCZSQALJJNXQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenoxypropan-2-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC Traditional name: (1-phenoxypropan-2-yl)[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine
• Synonyms: (1-methyl-2-phenoxyethyl)[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9935596
• LogD (pH = 7.4): 2.4666152
• Log P: 2.6715958
• Molar Refractivity: 99.6312 cm^3
• Polarizability: 34.884502 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.18
• LOG S: -2.31
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 7