N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 469394
• Molecular Formular: C14H24N4O3
• Molecular Mass: 296.36536
• Monoisotopic Mass: 296.18484065
• SMILES: c1(n(ncc1)C)C(NC(=O)CCN1OCCCC1)COC
• Canonical SMILES: COCC(c1ccnn1C)NC(=O)CCN1CCCCO1
• InChI: InChI=1S/C14H24N4O3/c1-17-13(5-7-15-17)12(11-20-2)16-14(19)6-9-18-8-3-4-10-21-18/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,16,19)
• InChIKey: NKDRJKIMWWIFQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.862385
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.57486
• LogD (pH = 7.4): -0.57412344
• Log P: -0.57411265
• Molar Refractivity: 90.0914 cm^3
• Polarizability: 30.74114 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.17
• LOG S: -2.81
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7