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

• ChemBase ID: 314814
• Molecular Formular: C18H21N5O2S
• Molecular Mass: 371.45664
• Monoisotopic Mass: 371.14159594
• SMILES: c1(ncc(s1)CN(Cc1nc(no1)c1ccccc1)C)N1CCOCC1
• Canonical SMILES: CN(Cc1cnc(s1)N1CCOCC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C18H21N5O2S/c1-22(12-15-11-19-18(26-15)23-7-9-24-10-8-23)13-16-20-17(21-25-16)14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3
• InChIKey: KEXCSAHFSCDFTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4546416
• LogD (pH = 7.4): 3.2944756
• Log P: 3.3285868
• Molar Refractivity: 112.5364 cm^3
• Polarizability: 38.614307 Å^3
• Polar Surface Area: 67.52 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: 1.89
• LOG S: -2.51
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 6