{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(2-phenylethyl)amine

• ChemBase ID: 457833
• Molecular Formular: C25H25N3O
• Molecular Mass: 383.4855
• Monoisotopic Mass: 383.19976244
• SMILES: c1(nc(on1)CN(CCc1ccccc1)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(Cc1onc(n1)C(c1ccccc1)c1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C25H25N3O/c1-28(18-17-20-11-5-2-6-12-20)19-23-26-25(27-29-23)24(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,24H,17-19H2,1H3
• InChIKey: HVIBICKBYQDNBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(2-phenylethyl)amine
• IUPAC Traditional name: {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(2-phenylethyl)amine
• Synonyms: N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-phenylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1880817
• LogD (pH = 7.4): 5.686718
• Log P: 5.90407
• Molar Refractivity: 117.9272 cm^3
• Polarizability: 44.823586 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.7
• LOG S: -5.04
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 8