methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

• ChemBase ID: 248619
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: N1=C(OCC1C(=O)OC)CC
• Canonical SMILES: COC(=O)C1COC(=N1)CC
• InChI: InChI=1S/C7H11NO3/c1-3-6-8-5(4-11-6)7(9)10-2/h5H,3-4H2,1-2H3
• InChIKey: QWQDXDYUKGBAHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
• IUPAC Traditional name: methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
• Synonyms: methyl 2-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

Database IDs

• PubChem SID: 164304529
• PubChem CID: 12296658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.49066132
• LogD (pH = 7.4): 0.49066377
• Log P: 0.4906638
• Molar Refractivity: 37.8924 cm^3
• Polarizability: 15.152107 Å^3
• Polar Surface Area: 47.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.37

Product Information

• Purity: 95%