[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanamine

• ChemBase ID: 308163
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1c(noc1C)c1ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)c1noc(n1)C
• InChI: InChI=1S/C10H11N3O/c1-7-12-10(13-14-7)9-4-2-8(6-11)3-5-9/h2-5H,6,11H2,1H3
• InChIKey: LSTDWUOSWUXAJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanamine
• IUPAC Traditional name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanamine
• Synonyms: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanamine

Database IDs

• CAS Number: 932742-86-4
• MDL Number: MFCD09752178

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6349399
• LogD (pH = 7.4): -0.4491985
• Log P: 1.4891034
• Molar Refractivity: 64.9993 cm^3
• Polarizability: 20.837265 Å^3
• Polar Surface Area: 64.94 Å^2