3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine

• ChemBase ID: 263205
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1(cc(on1)N)c1c(cc(cc1)C)C
• Canonical SMILES: Cc1ccc(c(c1)C)c1noc(c1)N
• InChI: InChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(12)14-13-10/h3-6H,12H2,1-2H3
• InChIKey: JKTVJJPNQSFFDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07382876
• PubChem SID: 164319115
• PubChem CID: 3564734

CALCULATED PROPERTIES

• Acid pKa: 15.773674
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.657959
• LogD (pH = 7.4): 2.6580732
• Log P: 2.6580749
• Molar Refractivity: 56.3003 cm^3
• Polarizability: 21.93856 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.565

Product Information

• Purity: 95%