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

• ChemBase ID: 724284
• Molecular Formular: C13H19N5O2S
• Molecular Mass: 309.38726
• Monoisotopic Mass: 309.12594587
• SMILES: c1(ncc(s1)CN(Cc1nc(on1)C)C)N1CCOCC1
• Canonical SMILES: CN(Cc1cnc(s1)N1CCOCC1)Cc1noc(n1)C
• InChI: InChI=1S/C13H19N5O2S/c1-10-15-12(16-20-10)9-17(2)8-11-7-14-13(21-11)18-3-5-19-6-4-18/h7H,3-6,8-9H2,1-2H3
• InChIKey: KDJHNQXWYXCQAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3247557
• LogD (pH = 7.4): 1.4828093
• Log P: 1.4852471
• Molar Refractivity: 81.7497 cm^3
• Polarizability: 30.182833 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.62
• LOG S: 0.08
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 5