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

• ChemBase ID: 758550
• Molecular Formular: C14H24N4O3
• Molecular Mass: 296.36536
• Monoisotopic Mass: 296.18484065
• SMILES: c1(nnc(o1)CC)CN(C(=O)CCN1OCCCC1)CC
• Canonical SMILES: CCN(C(=O)CCN1CCCCO1)Cc1nnc(o1)CC
• InChI: InChI=1S/C14H24N4O3/c1-3-12-15-16-13(21-12)11-17(4-2)14(19)7-9-18-8-5-6-10-20-18/h3-11H2,1-2H3
• InChIKey: NHMJGEUNEULGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.47650078
• LogD (pH = 7.4): -0.47608003
• Log P: -0.47607467
• Molar Refractivity: 79.5623 cm^3
• Polarizability: 30.215048 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.09
• LOG S: -2.6
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 7