4-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline

• ChemBase ID: 239258
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1(nc(co1)C)c1c(ccc(c1)N)C
• Canonical SMILES: Nc1ccc(c(c1)c1occ(n1)C)C
• InChI: InChI=1S/C11H12N2O/c1-7-3-4-9(12)5-10(7)11-13-8(2)6-14-11/h3-6H,12H2,1-2H3
• InChIKey: DHCLKADROGNFSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20306730
• PubChem SID: 164295168
• PubChem CID: 64387954

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7483205
• LogD (pH = 7.4): 1.7556784
• Log P: 1.7557731
• Molar Refractivity: 66.2021 cm^3
• Polarizability: 21.252785 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): 1.34

Product Information

• Purity: 95%