(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine

• ChemBase ID: 36729
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1cccc(c1)c1oc(c(n1)CN)C
• Canonical SMILES: NCc1nc(oc1C)c1ccccc1
• InChI: InChI=1S/C11H12N2O/c1-8-10(7-12)13-11(14-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
• InChIKey: LEKZZMAVLLJSNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
• IUPAC Traditional name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
• Synonyms: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamine; [(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amine; (5-Methyl-2-phenyl-1,3-oxazol-4-yl)methylamine 95%

Database IDs

• CAS Number: 132451-28-6
• MDL Number: MFCD08271882
• PubChem SID: 161000036
• PubChem CID: 15616431

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1367248
• LogD (pH = 7.4): 0.5481316
• Log P: 1.3467091
• Molar Refractivity: 64.9699 cm^3
• Polarizability: 21.723072 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41.5-46°C

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%