ethyl({[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl})(pyridin-4-ylmethyl)amine

• ChemBase ID: 483831
• Molecular Formular: C25H25N3O
• Molecular Mass: 383.4855
• Monoisotopic Mass: 383.19976244
• SMILES: n1c(c(oc1c1ccc(cc1)c1ccccc1)C)CN(Cc1ccncc1)CC
• Canonical SMILES: CCN(Cc1nc(oc1C)c1ccc(cc1)c1ccccc1)Cc1ccncc1
• InChI: InChI=1S/C25H25N3O/c1-3-28(17-20-13-15-26-16-14-20)18-24-19(2)29-25(27-24)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3
• InChIKey: CNXKWVVOXGFEFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl})(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: ethyl({[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl})(pyridin-4-ylmethyl)amine
• Synonyms: N-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-pyridinylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9842753
• LogD (pH = 7.4): 4.466276
• Log P: 4.6731715
• Molar Refractivity: 127.3797 cm^3
• Polarizability: 47.002274 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.66
• LOG S: -4.74
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6