(5-tert-butyl-1,3,4-oxadiazol-2-yl)methanamine

• ChemBase ID: 804227
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: C(N)c1oc(nn1)C(C)(C)C
• Canonical SMILES: NCc1nnc(o1)C(C)(C)C
• InChI: InChI=1S/C7H13N3O/c1-7(2,3)6-10-9-5(4-8)11-6/h4,8H2,1-3H3
• InChIKey: UCPGZQLXAUPIMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-tert-butyl-1,3,4-oxadiazol-2-yl)methanamine
• IUPAC Traditional name: (5-tert-butyl-1,3,4-oxadiazol-2-yl)methanamine
• Synonyms: 1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5943757
• LogD (pH = 7.4): -0.12853563
• Log P: 0.076221585
• Molar Refractivity: 42.9271 cm^3
• Polarizability: 16.10893 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%