N,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 752349
• Molecular Formular: C12H15N3O2S
• Molecular Mass: 265.3314
• Monoisotopic Mass: 265.08849774
• SMILES: c1(C(=O)N(C(c2nc(cs2)C)C)C)ncoc1C
• Canonical SMILES: Cc1csc(n1)C(N(C(=O)c1ncoc1C)C)C
• InChI: InChI=1S/C12H15N3O2S/c1-7-5-18-11(14-7)8(2)15(4)12(16)10-9(3)17-6-13-10/h5-6,8H,1-4H3
• InChIKey: VRXSRTSACLFMBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
• Synonyms: N,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9549816
• LogD (pH = 7.4): 0.95510644
• Log P: 0.95510805
• Molar Refractivity: 68.6503 cm^3
• Polarizability: 25.659386 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.63
• LOG S: -1.67
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3