4-ethenyl-3,5-dimethyl-1,2-oxazole

• ChemBase ID: 122883
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1(c(onc1C)C)C=C
• Canonical SMILES: C=Cc1c(C)noc1C
• InChI: InChI=1S/C7H9NO/c1-4-7-5(2)8-9-6(7)3/h4H,1H2,2-3H3
• InChIKey: RYIHZFZTDJNDGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-3,5-dimethyl-1,2-oxazole
• IUPAC Traditional name: 4-ethenyl-3,5-dimethyl-1,2-oxazole
• Synonyms: 3,5-dimethyl-4-vinylisoxazole

Database IDs

• PubChem SID: 162217236
• PubChem CID: 910190

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4053801
• LogD (pH = 7.4): 1.4054242
• Log P: 1.4054248
• Molar Refractivity: 36.9275 cm^3
• Polarizability: 13.349514 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true