5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine

• ChemBase ID: 308289
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: c1(oc(nn1)N)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nnc(o1)N
• InChI: InChI=1S/C10H11N3O2/c1-2-14-8-6-4-3-5-7(8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13)
• InChIKey: XHIFSPYKQYEHCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
• Synonyms: 5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine

Database IDs

• CAS Number: 18233-09-5
• MDL Number: MFCD09809376

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0339144
• LogD (pH = 7.4): 1.0339143
• Log P: 1.0339165
• Molar Refractivity: 67.4707 cm^3
• Polarizability: 21.224533 Å^3
• Polar Surface Area: 74.17 Å^2