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

• ChemBase ID: 606045
• Molecular Formular: C15H18N4O3
• Molecular Mass: 302.32842
• Monoisotopic Mass: 302.13789046
• SMILES: n1c(oc(c1CN(Cc1nnc(o1)C)C)C)c1oc(cc1)C
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccc(o1)C)Cc1nnc(o1)C
• InChI: InChI=1S/C15H18N4O3/c1-9-5-6-13(20-9)15-16-12(10(2)21-15)7-19(4)8-14-18-17-11(3)22-14/h5-6H,7-8H2,1-4H3
• InChIKey: CBLFZTGKSZLLSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]{[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]{[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl}amine
• Synonyms: N-methyl-1-[5-methyl-2-(5-methyl-2-furyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.094251454
• LogD (pH = 7.4): 0.32048687
• Log P: 0.3242894
• Molar Refractivity: 91.8857 cm^3
• Polarizability: 30.552359 Å^3
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.2
• LOG S: -2.08
• Polar Surface Area: 81.33 Å^2
• Rotatable Bonds: 5