2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

• ChemBase ID: 308119
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: n1c(oc(n1)C)c1cc(c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1N)c1nnc(o1)C
• InChI: InChI=1S/C10H11N3O2/c1-6-12-13-10(15-6)7-3-4-9(14-2)8(11)5-7/h3-5H,11H2,1-2H3
• InChIKey: HUGVMNXPVROVGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
• IUPAC Traditional name: 2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
• Synonyms: 2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

Database IDs

• CAS Number: 5306-42-3
• MDL Number: MFCD09028318

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.11422792
• LogD (pH = 7.4): 0.11590192
• Log P: 0.1159233
• Molar Refractivity: 67.6895 cm^3
• Polarizability: 21.148035 Å^3
• Polar Surface Area: 74.17 Å^2