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

• ChemBase ID: 285702
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: c1(oc(nc1)CN)C(C)(C)C
• Canonical SMILES: NCc1ncc(o1)C(C)(C)C
• InChI: InChI=1S/C8H14N2O/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4,9H2,1-3H3
• InChIKey: ODVOZCUBBYONLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-tert-butyl-1,3-oxazol-2-yl)methanamine
• IUPAC Traditional name: (5-tert-butyl-1,3-oxazol-2-yl)methanamine
• Synonyms: (5-tert-butyl-1,3-oxazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD09880833
• PubChem SID: 180671233
• PubChem CID: 33701925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2475092
• LogD (pH = 7.4): 0.3036839
• Log P: 0.57912946
• Molar Refractivity: 43.1112 cm^3
• Polarizability: 16.959707 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.369

Product Information

• Purity: 95%