2-methyl-5-(1,3-oxazol-2-yl)aniline

• ChemBase ID: 243863
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(ncco1)c1cc(c(cc1)C)N
• Canonical SMILES: Cc1ccc(cc1N)c1ncco1
• InChI: InChI=1S/C10H10N2O/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-6H,11H2,1H3
• InChIKey: CICYPUCSKRAKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14657173
• PubChem SID: 164299773
• PubChem CID: 61393294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6227363
• LogD (pH = 7.4): 1.6243819
• Log P: 1.6244029
• Molar Refractivity: 61.6106 cm^3
• Polarizability: 19.486656 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): 1.321

Product Information

• Purity: 95%