2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylacetamide

• ChemBase ID: 241975
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: C(=O)(N(Cc1noc(c1)C)C)C(c1ccccc1)N
• Canonical SMILES: O=C(C(c1ccccc1)N)N(Cc1noc(c1)C)C
• InChI: InChI=1S/C14H17N3O2/c1-10-8-12(16-19-10)9-17(2)14(18)13(15)11-6-4-3-5-7-11/h3-8,13H,9,15H2,1-2H3
• InChIKey: QRJKTENJUDTKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylacetamide
• Synonyms: 2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenylacetamide

Database IDs

• MDL Number: MFCD12484723
• PubChem SID: 164297885
• PubChem CID: 43588861

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3712583
• LogD (pH = 7.4): 0.30236763
• Log P: 0.7994151
• Molar Refractivity: 72.659 cm^3
• Polarizability: 27.765776 Å^3
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.335

Product Information

• Purity: 95%