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

• ChemBase ID: 87375
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: o1c(nc(c1CN)C)c1ccccc1
• Canonical SMILES: NCc1oc(nc1C)c1ccccc1
• InChI: InChI=1S/C11H12N2O/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
• InChIKey: VCAYHDQQJIEHNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-2-phenyl-1,3-oxazol-5-yl)methanamine
• IUPAC Traditional name: (4-methyl-2-phenyl-1,3-oxazol-5-yl)methanamine
• Synonyms: (4-methyl-2-phenyl-1,3-oxazol-5-ylmethyl)amine; (4-Methyl-2-phenyl-1,3-oxazol-5-yl)methylamine; 5-(Aminomethyl)-4-methyl-2-phenyl-1,3-oxazole 97%

Database IDs

• CAS Number: 165735-97-7
• MDL Number: MFCD11109320
• PubChem SID: 162074478
• PubChem CID: 33589455

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1741436
• LogD (pH = 7.4): 0.5172046
• Log P: 1.1170472
• Molar Refractivity: 64.8114 cm^3
• Polarizability: 21.72413 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%