2-(dimethyl-1,2-oxazol-4-yl)-N-(6-methylheptan-2-yl)acetamide

• ChemBase ID: 226367
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: c1(c(onc1C)C)CC(=O)NC(CCCC(C)C)C
• Canonical SMILES: CC(CCCC(NC(=O)Cc1c(C)noc1C)C)C
• InChI: InChI=1S/C15H26N2O2/c1-10(2)7-6-8-11(3)16-15(18)9-14-12(4)17-19-13(14)5/h10-11H,6-9H2,1-5H3,(H,16,18)
• InChIKey: XHRAXLRGZSPDHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)-N-(6-methylheptan-2-yl)acetamide
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)-N-(6-methylheptan-2-yl)acetamide

Database IDs

• PubChem SID: 164282277
• PubChem CID: 71692308

CALCULATED PROPERTIES

• Acid pKa: 15.385974
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6397874
• LogD (pH = 7.4): 2.6398344
• Log P: 2.639835
• Molar Refractivity: 77.3107 cm^3
• Polarizability: 29.458927 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds