5-(thiophen-2-yl)-1,3-oxazole

• ChemBase ID: 86033
• Molecular Formular: C7H5NOS
• Molecular Mass: 151.1857
• Monoisotopic Mass: 151.00918479
• SMILES: n1coc(c1)c1cccs1
• Canonical SMILES: c1csc(c1)c1cnco1
• InChI: InChI=1S/C7H5NOS/c1-2-7(10-3-1)6-4-8-5-9-6/h1-5H
• InChIKey: VGBKCFRTMPSJLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 70380-70-0
• MDL Number: MFCD00085172
• PubChem SID: 162073149
• PubChem CID: 2797208

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2595096
• LogD (pH = 7.4): 1.2595117
• Log P: 1.2595117
• Molar Refractivity: 38.671 cm^3
• Polarizability: 15.928049 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%