2-methoxyethyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate

• ChemBase ID: 862060
• Molecular Formular: C16H19N3O4
• Molecular Mass: 317.33976
• Monoisotopic Mass: 317.1375561
• SMILES: n1c(onc1c1ccccc1)C1N(C(=O)OCCOC)CCC1
• Canonical SMILES: COCCOC(=O)N1CCCC1c1onc(n1)c1ccccc1
• InChI: InChI=1S/C16H19N3O4/c1-21-10-11-22-16(20)19-9-5-8-13(19)15-17-14(18-23-15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
• InChIKey: VZCRWSKOALDUGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
• IUPAC Traditional name: 2-methoxyethyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
• Synonyms: 2-methoxyethyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5984437
• LogD (pH = 7.4): 2.5984437
• Log P: 2.5984437
• Molar Refractivity: 94.1795 cm^3
• Polarizability: 32.349514 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.91
• LOG S: -3.15
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6