ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amine

• ChemBase ID: 143769
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: CCc1nc(on1)CNCC
• Canonical SMILES: CCNCc1onc(n1)CC
• InChI: InChI=1S/C7H13N3O/c1-3-6-9-7(11-10-6)5-8-4-2/h8H,3-5H2,1-2H3
• InChIKey: MORJMPJTSJZXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amine
• IUPAC Traditional name: ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amine
• Synonyms: N-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine; N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

Database IDs

• CAS Number: 938459-04-2
• MDL Number: MFCD09055307
• PubChem SID: 162237986
• PubChem CID: 28063862

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6566589
• LogD (pH = 7.4): 0.80110765
• Log P: 0.9948014
• Molar Refractivity: 43.249 cm^3
• Polarizability: 16.109314 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H13N3O

DETAILS

Sigma Aldrich - CBR00589

Other Notes
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Legal Information
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