N-cyclopentyl-2-(4,5-dimethyl-2-oxo-2,3-dihydro-1,3-oxazol-3-yl)butanamide

• ChemBase ID: 493544
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: c1(=O)n(c(c(o1)C)C)C(C(=O)NC1CCCC1)CC
• Canonical SMILES: CCC(n1c(=O)oc(c1C)C)C(=O)NC1CCCC1
• InChI: InChI=1S/C14H22N2O3/c1-4-12(13(17)15-11-7-5-6-8-11)16-9(2)10(3)19-14(16)18/h11-12H,4-8H2,1-3H3,(H,15,17)
• InChIKey: AYOFOIXAWMUHAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(4,5-dimethyl-2-oxo-2,3-dihydro-1,3-oxazol-3-yl)butanamide
• IUPAC Traditional name: N-cyclopentyl-2-(4,5-dimethyl-2-oxo-1,3-oxazol-3-yl)butanamide
• Synonyms: N-cyclopentyl-2-(4,5-dimethyl-2-oxo-1,3-oxazol-3(2H)-yl)butanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 64.24 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.3
• LOG S: -3.11

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.397973
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9679455
• LogD (pH = 7.4): 1.9679455
• Log P: 1.9679455
• Molar Refractivity: 73.1643 cm^3
• Polarizability: 27.95237 Å^3
• Polar Surface Area: 58.64 Å^2