methyl[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyl]amine

• ChemBase ID: 90383
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: o1c(c(nc1c1ccccc1)C)CNC
• Canonical SMILES: CNCc1oc(nc1C)c1ccccc1
• InChI: InChI=1S/C12H14N2O/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
• InChIKey: XCBYKJIAOCVNGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1031843-28-3
• MDL Number: MFCD11109322
• PubChem SID: 162077196
• PubChem CID: 33589464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2260743
• LogD (pH = 7.4): 0.45934066
• Log P: 1.5496275
• Molar Refractivity: 69.586 cm^3
• Polarizability: 23.569616 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%