3-(1,2-oxazinan-2-yl)-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

• ChemBase ID: 349564
• Molecular Formular: C14H22N4O4
• Molecular Mass: 310.34888
• Monoisotopic Mass: 310.1641052
• SMILES: n1c(onc1CNC(=O)CCN1OCCCC1)C1OCCC1
• Canonical SMILES: O=C(NCc1noc(n1)C1CCCO1)CCN1CCCCO1
• InChI: InChI=1S/C14H22N4O4/c19-13(5-7-18-6-1-2-9-21-18)15-10-12-16-14(22-17-12)11-4-3-8-20-11/h11H,1-10H2,(H,15,19)
• InChIKey: OUMINSQEHLCCEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazinan-2-yl)-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
• IUPAC Traditional name: 3-(1,2-oxazinan-2-yl)-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
• Synonyms: 3-(1,2-oxazinan-2-yl)-N-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.731567
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.016959028
• LogD (pH = 7.4): -0.016455032
• Log P: -0.016446728
• Molar Refractivity: 78.904 cm^3
• Polarizability: 30.314089 Å^3
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.61
• LOG S: -2.25
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 6