3-(dimethyl-1,3-oxazol-2-yl)aniline

• ChemBase ID: 261359
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c(oc(c1C)C)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)c1oc(c(n1)C)C
• InChI: InChI=1S/C11H12N2O/c1-7-8(2)14-11(13-7)9-4-3-5-10(12)6-9/h3-6H,12H2,1-2H3
• InChIKey: SEKVLTAKYGGEJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethyl-1,3-oxazol-2-yl)aniline
• IUPAC Traditional name: 3-(dimethyl-1,3-oxazol-2-yl)aniline
• Synonyms: 3-(4,5-dimethyl-1,3-oxazol-2-yl)aniline

Database IDs

• MDL Number: MFCD06739710
• PubChem SID: 164317269
• PubChem CID: 5138783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4392765
• LogD (pH = 7.4): 1.4418797
• Log P: 1.441913
• Molar Refractivity: 66.3106 cm^3
• Polarizability: 21.252563 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 1.36

Product Information

• Purity: 95%