ethyl 2-tert-butyl-1,3-oxazole-4-carboxylate

• ChemBase ID: 802814
• Molecular Formular: C10H15NO3
• Molecular Mass: 197.231
• Monoisotopic Mass: 197.10519335
• SMILES: o1c(nc(c1)C(=O)OCC)C(C)(C)C
• Canonical SMILES: CCOC(=O)c1coc(n1)C(C)(C)C
• InChI: InChI=1S/C10H15NO3/c1-5-13-8(12)7-6-14-9(11-7)10(2,3)4/h6H,5H2,1-4H3
• InChIKey: BJTVYCOSDITBDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-tert-butyl-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: ethyl 2-tert-butyl-1,3-oxazole-4-carboxylate
• Synonyms: ETHYL 2-TERT-BUTYLOXAZOLE-4-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5838735
• LogD (pH = 7.4): 2.5838735
• Log P: 2.3838737
• Molar Refractivity: 51.3124 cm^3
• Polarizability: 19.912632 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%