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

• ChemBase ID: 864196
• Molecular Formular: C17H27N5O3
• Molecular Mass: 349.42798
• Monoisotopic Mass: 349.21138975
• SMILES: c1(c2noc(c2)C)nnc(o1)CCC(=O)N(CCN(CC)CC)CC
• Canonical SMILES: CCN(C(=O)CCc1nnc(o1)c1noc(c1)C)CCN(CC)CC
• InChI: InChI=1S/C17H27N5O3/c1-5-21(6-2)10-11-22(7-3)16(23)9-8-15-18-19-17(24-15)14-12-13(4)25-20-14/h12H,5-11H2,1-4H3
• InChIKey: BRYJNZNTQWASCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.600619
• LogD (pH = 7.4): -1.0133641
• Log P: 0.6068182
• Molar Refractivity: 107.5194 cm^3
• Polarizability: 36.5159 Å^3
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.53
• LOG S: -1.4
• Polar Surface Area: 88.5 Å^2
• Rotatable Bonds: 6