N-methyl-2-(morpholin-3-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide

• ChemBase ID: 424663
• Molecular Formular: C11H17N3O3
• Molecular Mass: 239.27098
• Monoisotopic Mass: 239.12699142
• SMILES: C(=O)(CC1NCCOC1)N(Cc1oncc1)C
• Canonical SMILES: CN(C(=O)CC1COCCN1)Cc1ccno1
• InChI: InChI=1S/C11H17N3O3/c1-14(7-10-2-3-13-17-10)11(15)6-9-8-16-5-4-12-9/h2-3,9,12H,4-8H2,1H3
• InChIKey: JIFBSJSEPFBWEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-3-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-(morpholin-3-yl)-N-(1,2-oxazol-5-ylmethyl)acetamide
• Synonyms: N-(5-isoxazolylmethyl)-N-methyl-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2758148
• LogD (pH = 7.4): -1.559301
• Log P: -0.9871867
• Molar Refractivity: 61.7698 cm^3
• Polarizability: 23.806047 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -2.21
• LOG S: -0.37
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 4