N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-{4-[(2-methyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl}acetamide

• ChemBase ID: 524375
• Molecular Formular: C15H25N3O5
• Molecular Mass: 327.3761
• Monoisotopic Mass: 327.17942092
• SMILES: n1c(coc1C)CN1C(CC(=O)NC(CO)(CO)C)COCC1
• Canonical SMILES: OCC(NC(=O)CC1COCCN1Cc1coc(n1)C)(CO)C
• InChI: InChI=1S/C15H25N3O5/c1-11-16-12(7-23-11)6-18-3-4-22-8-13(18)5-14(21)17-15(2,9-19)10-20/h7,13,19-20H,3-6,8-10H2,1-2H3,(H,17,21)
• InChIKey: HHODDUFIOJLTBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-{4-[(2-methyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-{4-[(2-methyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl}acetamide
• Synonyms: N-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-2-{4-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.684153
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -2.2626514
• LogD (pH = 7.4): -2.0101845
• Log P: -2.0057936
• Molar Refractivity: 82.3692 cm^3
• Polarizability: 32.377808 Å^3
• Polar Surface Area: 108.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 3
• Log P: -2.25
• LOG S: -0.98
• Polar Surface Area: 108.06 Å^2
• Rotatable Bonds: 7