2-(thiophen-2-yl)-1,3-benzoxazol-5-amine

• ChemBase ID: 260138
• Molecular Formular: C11H8N2OS
• Molecular Mass: 216.25902
• Monoisotopic Mass: 216.03573389
• SMILES: c1(nc2c(o1)ccc(c2)N)c1sccc1
• Canonical SMILES: Nc1ccc2c(c1)nc(o2)c1cccs1
• InChI: InChI=1S/C11H8N2OS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H,12H2
• InChIKey: ZRSQBVAYYVOKFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)-1,3-benzoxazol-5-amine
• IUPAC Traditional name: 2-(thiophen-2-yl)-1,3-benzoxazol-5-amine
• Synonyms: 2-(thiophen-2-yl)-1,3-benzoxazol-5-amine

Database IDs

• MDL Number: MFCD00447633
• PubChem SID: 164316048
• PubChem CID: 653654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2919455
• LogD (pH = 7.4): 2.2928462
• Log P: 2.2928576
• Molar Refractivity: 69.415 cm^3
• Polarizability: 23.913504 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.856

Product Information

• Purity: 95%