methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amine

• ChemBase ID: 835533
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: n1c(occ1CN(CCCc1n(ccn1)C)C)C(C)C
• Canonical SMILES: CN(Cc1coc(n1)C(C)C)CCCc1nccn1C
• InChI: InChI=1S/C15H24N4O/c1-12(2)15-17-13(11-20-15)10-18(3)8-5-6-14-16-7-9-19(14)4/h7,9,11-12H,5-6,8,10H2,1-4H3
• InChIKey: LKWPGGODMFFQGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: [(2-isopropyl-1,3-oxazol-4-yl)methyl](methyl)[3-(1-methylimidazol-2-yl)propyl]amine
• Synonyms: N-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2441843
• LogD (pH = 7.4): 1.1744733
• Log P: 1.7331122
• Molar Refractivity: 79.6755 cm^3
• Polarizability: 30.57621 Å^3
• Polar Surface Area: 47.09 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: 0.99
• LOG S: -1.05
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 7