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

• ChemBase ID: 254528
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c(coc1C)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)c1coc(n1)C
• InChI: InChI=1S/C10H10N2O/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,11H2,1H3
• InChIKey: HREKBLGHMWKXOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09863295
• PubChem SID: 164310438
• PubChem CID: 15514362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2403347
• LogD (pH = 7.4): 1.2423263
• Log P: 1.2423517
• Molar Refractivity: 50.6727 cm^3
• Polarizability: 20.172812 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 1.141

Product Information

• Purity: 95%