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

• ChemBase ID: 124195
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: c1(nnc(o1)C)c1c(ccc(c1)N)OC
• Canonical SMILES: COc1ccc(cc1c1nnc(o1)C)N
• InChI: InChI=1S/C10H11N3O2/c1-6-12-13-10(15-6)8-5-7(11)3-4-9(8)14-2/h3-5H,11H2,1-2H3
• InChIKey: MHZFJWMRNDGLAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218548
• PubChem CID: 16767426

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.10445243
• LogD (pH = 7.4): 0.11577697
• Log P: 0.1159233
• Molar Refractivity: 67.6895 cm^3
• Polarizability: 21.152975 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true