N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 638071
• Molecular Formular: C18H16N4O4S
• Molecular Mass: 384.40904
• Monoisotopic Mass: 384.08922601
• SMILES: c12nc(cn1ccs2)CNC(=O)c1nc(oc1)COc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)NCc1cn2c(n1)scc2
• InChI: InChI=1S/C18H16N4O4S/c1-24-13-2-4-14(5-3-13)25-11-16-21-15(10-26-16)17(23)19-8-12-9-22-6-7-27-18(22)20-12/h2-7,9-10H,8,11H2,1H3,(H,19,23)
• InChIKey: CFBLRSFJGYXXAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.029356
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4736099
• LogD (pH = 7.4): 1.4834152
• Log P: 1.4835509
• Molar Refractivity: 108.7813 cm^3
• Polarizability: 36.967617 Å^3
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.2
• LOG S: -4.34
• Polar Surface Area: 90.89 Å^2
• Rotatable Bonds: 6