2-(4-methoxyphenoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 468597
• Molecular Formular: C18H19N3O4S
• Molecular Mass: 373.42616
• Monoisotopic Mass: 373.1096271
• SMILES: c1(C(=O)N(C(c2nccs2)C)C)nc(oc1)COc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)N(C(c1nccs1)C)C
• InChI: InChI=1S/C18H19N3O4S/c1-12(17-19-8-9-26-17)21(2)18(22)15-10-25-16(20-15)11-24-14-6-4-13(23-3)5-7-14/h4-10,12H,11H2,1-3H3
• InChIKey: QSQHIXIDQOPENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1063063
• LogD (pH = 7.4): 2.1064715
• Log P: 2.1064737
• Molar Refractivity: 95.7751 cm^3
• Polarizability: 36.755455 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.3
• LOG S: -2.6
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6