{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]methylamine

• ChemBase ID: 434817
• Molecular Formular: C17H19ClN4O2
• Molecular Mass: 346.81136
• Monoisotopic Mass: 346.11965355
• SMILES: c1(nc(c(o1)C)CN(Cc1nnc(o1)CC)C)c1c(Cl)cccc1
• Canonical SMILES: CCc1nnc(o1)CN(Cc1nc(oc1C)c1ccccc1Cl)C
• InChI: InChI=1S/C17H19ClN4O2/c1-4-15-20-21-16(24-15)10-22(3)9-14-11(2)23-17(19-14)12-7-5-6-8-13(12)18/h5-8H,4,9-10H2,1-3H3
• InChIKey: VMKNVVUMBQINBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]methylamine
• IUPAC Traditional name: {[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]methylamine
• Synonyms: 1-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.127318
• LogD (pH = 7.4): 2.3650079
• Log P: 2.369062
• Molar Refractivity: 103.7768 cm^3
• Polarizability: 35.608692 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.15
• LOG S: -3.41
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 6