ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate

• ChemBase ID: 267085
• Molecular Formular: C10H16N2O3
• Molecular Mass: 212.24564
• Monoisotopic Mass: 212.11609238
• SMILES: n1c(noc1CCC(=O)OCC)CCC
• Canonical SMILES: CCOC(=O)CCc1onc(n1)CCC
• InChI: InChI=1S/C10H16N2O3/c1-3-5-8-11-9(15-12-8)6-7-10(13)14-4-2/h3-7H2,1-2H3
• InChIKey: HYBGBUYABWBKDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
• IUPAC Traditional name: ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
• Synonyms: ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate

Database IDs

• MDL Number: MFCD16040131
• PubChem SID: 164322995
• PubChem CID: 47002928

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8137529
• LogD (pH = 7.4): 1.813753
• Log P: 1.813753
• Molar Refractivity: 55.3781 cm^3
• Polarizability: 20.92799 Å^3
• Polar Surface Area: 65.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.257

Product Information

• Purity: 95%