4-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(4-methylpentyl)morpholine

• ChemBase ID: 434510
• Molecular Formular: C16H26N2O3
• Molecular Mass: 294.38924
• Monoisotopic Mass: 294.1943427
• SMILES: c1(C(=O)N2CC(OCC2)CCCC(C)C)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N1CCOC(C1)CCCC(C)C
• InChI: InChI=1S/C16H26N2O3/c1-4-14-15(17-11-21-14)16(19)18-8-9-20-13(10-18)7-5-6-12(2)3/h11-13H,4-10H2,1-3H3
• InChIKey: SJQBKMSARRFEIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(4-methylpentyl)morpholine
• IUPAC Traditional name: 4-(5-ethyl-1,3-oxazole-4-carbonyl)-2-(4-methylpentyl)morpholine
• Synonyms: 4-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-2-(4-methylpentyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6623857
• LogD (pH = 7.4): 2.6623857
• Log P: 2.6623857
• Molar Refractivity: 81.3098 cm^3
• Polarizability: 31.160158 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.68
• LOG S: -2.94
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4