2-{5-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}ethan-1-amine

• ChemBase ID: 53234
• Molecular Formular: C10H15N5O
• Molecular Mass: 221.259
• Monoisotopic Mass: 221.12766013
• SMILES: n1ccn(c1C)CCc1oc(nn1)CCN
• Canonical SMILES: Cc1nccn1CCc1nnc(o1)CCN
• InChI: InChI=1S/C10H15N5O/c1-8-12-5-7-15(8)6-3-10-14-13-9(16-10)2-4-11/h5,7H,2-4,6,11H2,1H3
• InChIKey: GLJLJDSVFIABBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{5-[2-(2-methylimidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}ethanamine
• Synonyms: 2-(5-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)-1,3,4-oxadiazol-2-yl)ethanamine

Database IDs

• MDL Number: MFCD14708250
• PubChem SID: 162057997
• PubChem CID: 46835761

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.3122244
• LogD (pH = 7.4): -3.3984485
• Log P: -1.3464438
• Molar Refractivity: 60.4146 cm^3
• Polarizability: 22.30812 Å^3
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%