2-(morpholin-4-yl)-1,3-benzoxazol-6-amine

• ChemBase ID: 246442
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: c1(nc2c(o1)cc(N)cc2)N1CCOCC1
• Canonical SMILES: Nc1ccc2c(c1)oc(n2)N1CCOCC1
• InChI: InChI=1S/C11H13N3O2/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
• InChIKey: QAZCAIYMTLZRFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1,3-benzoxazol-6-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-1,3-benzoxazol-6-amine
• Synonyms: 2-morpholin-4-yl-1,3-benzoxazol-6-amine

Database IDs

• MDL Number: MFCD06660826
• PubChem SID: 164302352
• PubChem CID: 4961945

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0642217
• LogD (pH = 7.4): 1.0647265
• Log P: 1.0647329
• Molar Refractivity: 60.3999 cm^3
• Polarizability: 23.420752 Å^3
• Polar Surface Area: 64.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 1.232

Product Information

• Purity: 95%