N-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetamide

• ChemBase ID: 282799
• Molecular Formular: C15H12N2O3
• Molecular Mass: 268.26738
• Monoisotopic Mass: 268.08479225
• SMILES: c1(nc2c(o1)cccc2)Oc1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)Oc1nc2c(o1)cccc2
• InChI: InChI=1S/C15H12N2O3/c1-10(18)16-11-6-8-12(9-7-11)19-15-17-13-4-2-3-5-14(13)20-15/h2-9H,1H3,(H,16,18)
• InChIKey: JJIJAKHLDNKCGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetamide
• IUPAC Traditional name: N-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetamide
• Synonyms: N-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetamide

Database IDs

• MDL Number: MFCD16598294
• PubChem SID: 180668330
• PubChem CID: 47053047

CALCULATED PROPERTIES

• Acid pKa: 14.646067
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7421129
• LogD (pH = 7.4): 2.7421129
• Log P: 2.7421129
• Molar Refractivity: 73.3002 cm^3
• Polarizability: 29.034649 Å^3
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 2.532

Product Information

• Purity: 95%