tert-butyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate

• ChemBase ID: 799564
• Molecular Formular: C12H19N3O3
• Molecular Mass: 253.29756
• Monoisotopic Mass: 253.14264148
• SMILES: N1(CC(CC1)c1onc(n1)C)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC(C1)c1onc(n1)C)OC(C)(C)C
• InChI: InChI=1S/C12H19N3O3/c1-8-13-10(18-14-8)9-5-6-15(7-9)11(16)17-12(2,3)4/h9H,5-7H2,1-4H3
• InChIKey: JCOXIBYCDBFXNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
• Synonyms: tert-butyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate

CALCULATED PROPERTIES

• Log P: 1.4991263
• Molar Refractivity: 66.4109 cm^3
• Polarizability: 25.030085 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4991263
• LogD (pH = 7.4): 1.4991263

PROPERTIES

Product Information

• Purity: 98%