ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate

• ChemBase ID: 289111
• Molecular Formular: C8H11NO3
• Molecular Mass: 169.17784
• Monoisotopic Mass: 169.07389322
• SMILES: O=C(c1c(C)nc(C)o1)OCC
• Canonical SMILES: CCOC(=O)c1oc(nc1C)C
• InChI: InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-6(3)12-7/h4H2,1-3H3
• InChIKey: WCUUOYNIEQTQIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
• IUPAC Traditional name: ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
• Synonyms: Ethyl 2,4-dimethyloxazole-5-carboxylate

Database IDs

• CAS Number: 23012-30-8
• MDL Number: MFCD06254441
• PubChem SID: 180674642
• PubChem CID: 315151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4498579
• LogD (pH = 7.4): 0.44985813
• Log P: 0.44985813
• Molar Refractivity: 42.451 cm^3
• Polarizability: 16.190216 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%