N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}-1,2-oxazole-5-carboxamide

• ChemBase ID: 644991
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1(C(=O)NCCC2OCCN(CC(C)(C)C)C2)oncc1
• Canonical SMILES: O=C(c1ccno1)NCCC1OCCN(C1)CC(C)(C)C
• InChI: InChI=1S/C15H25N3O3/c1-15(2,3)11-18-8-9-20-12(10-18)4-6-16-14(19)13-5-7-17-21-13/h5,7,12H,4,6,8-11H2,1-3H3,(H,16,19)
• InChIKey: KKPDHAMUVZWZJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}-1,2-oxazole-5-carboxamide
• Synonyms: N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}isoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4292345
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5007629
• LogD (pH = 7.4): 0.2500633
• Log P: 0.8742836
• Molar Refractivity: 81.1241 cm^3
• Polarizability: 30.93382 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.15
• LOG S: -2.79
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 6