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

• ChemBase ID: 92869
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: n1c(c2ccccc2)oc(c1CNC)C
• Canonical SMILES: CNCc1nc(oc1C)c1ccccc1
• InChI: InChI=1S/C12H14N2O/c1-9-11(8-13-2)14-12(15-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
• InChIKey: WFIYOYRKPWLPFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amine
• Synonyms: N-Methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amine 90%

Database IDs

• CAS Number: 132451-29-7
• MDL Number: MFCD08435849
• PubChem SID: 162079567
• PubChem CID: 15616434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.84168386
• LogD (pH = 7.4): 0.8834858
• Log P: 1.7792895
• Molar Refractivity: 69.7445 cm^3
• Polarizability: 23.568556 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true