2-(morpholin-4-yl)-1,3-benzoxazol-5-amine

• ChemBase ID: 78228
• Molecular Formular: C11H13N3O2
• Molecular Mass: 219.23982
• Monoisotopic Mass: 219.10077667
• SMILES: N1(c2nc3c(ccc(c3)N)o2)CCOCC1
• Canonical SMILES: Nc1ccc2c(c1)nc(o2)N1CCOCC1
• InChI: InChI=1S/C11H13N3O2/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
• InChIKey: QOLUHUNFWRRDQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1,3-benzoxazol-5-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-1,3-benzoxazol-5-amine
• Synonyms: 2-Morpholin-4-yl-1,3-benzoxazol-5-ylamine; 5-Amino-2-morpholin-4-yl-1,3-benzoxazole

Database IDs

• PubChem SID: 162104409
• PubChem CID: 16768943

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0638224
• LogD (pH = 7.4): 1.0647213
• Log P: 1.0647329
• Molar Refractivity: 60.3999 cm^3
• Polarizability: 23.420954 Å^3
• Polar Surface Area: 64.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true