N-[2-(4-methylmorpholin-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 340583
• Molecular Formular: C14H23N3O3
• Molecular Mass: 281.35072
• Monoisotopic Mass: 281.17394161
• SMILES: c1(noc(c1)C(C)C)C(=O)NCCC1OCCN(C1)C
• Canonical SMILES: CN1CCOC(C1)CCNC(=O)c1noc(c1)C(C)C
• InChI: InChI=1S/C14H23N3O3/c1-10(2)13-8-12(16-20-13)14(18)15-5-4-11-9-17(3)6-7-19-11/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)
• InChIKey: HJRGIMNNYNICKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methylmorpholin-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-isopropyl-N-[2-(4-methylmorpholin-2-yl)ethyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.402146
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8890171
• LogD (pH = 7.4): 0.5956612
• Log P: 0.8048853
• Molar Refractivity: 76.8776 cm^3
• Polarizability: 29.025484 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.07
• LOG S: -2.5
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5