N-(1,2-oxazol-3-ylmethyl)-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 544971
• Molecular Formular: C13H21N3O3
• Molecular Mass: 267.32414
• Monoisotopic Mass: 267.15829155
• SMILES: N1(CC(CC(=O)NCc2nocc2)OCC1)C(C)C
• Canonical SMILES: CC(N1CCOC(C1)CC(=O)NCc1ccon1)C
• InChI: InChI=1S/C13H21N3O3/c1-10(2)16-4-6-18-12(9-16)7-13(17)14-8-11-3-5-19-15-11/h3,5,10,12H,4,6-9H2,1-2H3,(H,14,17)
• InChIKey: NVIHVCLURQZJBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2-oxazol-3-ylmethyl)-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: 2-(4-isopropylmorpholin-2-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
• Synonyms: 2-(4-isopropylmorpholin-2-yl)-N-(isoxazol-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.765891
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9661604
• LogD (pH = 7.4): -0.29668
• Log P: 0.10703897
• Molar Refractivity: 70.9355 cm^3
• Polarizability: 27.465685 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: -0.87
• LOG S: -1.72
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 5