N-[1-(1H-imidazol-1-yl)-3-methylbutan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 401934
• Molecular Formular: C15H26N4O2
• Molecular Mass: 294.39254
• Monoisotopic Mass: 294.20557609
• SMILES: n1(cncc1)CC(NC(=O)CCN1OCCCC1)C(C)C
• Canonical SMILES: O=C(NC(C(C)C)Cn1cncc1)CCN1CCCCO1
• InChI: InChI=1S/C15H26N4O2/c1-13(2)14(11-18-9-6-16-12-18)17-15(20)5-8-19-7-3-4-10-21-19/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,17,20)
• InChIKey: QPRIVOZMUMECMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-imidazol-1-yl)-3-methylbutan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[1-(imidazol-1-yl)-3-methylbutan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[1-(1H-imidazol-1-ylmethyl)-2-methylpropyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.637978
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.019695994
• LogD (pH = 7.4): 0.48466492
• Log P: 0.55175865
• Molar Refractivity: 81.3391 cm^3
• Polarizability: 31.947388 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -2.69
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7