2-(dimethyl-1,2-oxazol-4-yl)-N-[1-(dimethyl-1,3-thiazol-2-yl)propyl]acetamide

• ChemBase ID: 828065
• Molecular Formular: C15H21N3O2S
• Molecular Mass: 307.41114
• Monoisotopic Mass: 307.13544793
• SMILES: n1c(sc(c1C)C)C(NC(=O)Cc1c(onc1C)C)CC
• Canonical SMILES: CCC(c1sc(c(n1)C)C)NC(=O)Cc1c(C)noc1C
• InChI: InChI=1S/C15H21N3O2S/c1-6-13(15-16-8(2)11(5)21-15)17-14(19)7-12-9(3)18-20-10(12)4/h13H,6-7H2,1-5H3,(H,17,19)
• InChIKey: MDCQAUQUFUSDOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)-N-[1-(dimethyl-1,3-thiazol-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)-N-[1-(dimethyl-1,3-thiazol-2-yl)propyl]acetamide
• Synonyms: 2-(3,5-dimethylisoxazol-4-yl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.567096
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0475948
• LogD (pH = 7.4): 2.0481448
• Log P: 2.0481544
• Molar Refractivity: 83.0814 cm^3
• Polarizability: 31.189642 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.24
• LOG S: -3.35
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5