N-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

• ChemBase ID: 816842
• Molecular Formular: C27H30N4O
• Molecular Mass: 426.5533
• Monoisotopic Mass: 426.2419616
• SMILES: c1(c(n(nc1C)C)C)CN(C1CC1)Cc1nc(oc1C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: Cc1oc(nc1CN(C1CC1)Cc1c(C)nn(c1C)C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H30N4O/c1-18-25(19(2)30(4)29-18)16-31(24-14-15-24)17-26-20(3)32-27(28-26)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-13,24H,14-17H2,1-4H3
• InChIKey: QNZDZCMSBSFTHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}-N-[(trimethylpyrazol-4-yl)methyl]cyclopropanamine
• Synonyms: N-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3915029
• LogD (pH = 7.4): 4.65044
• Log P: 4.758392
• Molar Refractivity: 150.6438 cm^3
• Polarizability: 51.05483 Å^3
• Polar Surface Area: 47.09 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0
• Log P: 4.54
• LOG S: -5.94
• Polar Surface Area: 47.09 Å^2