[5-(thiophen-2-yl)-1,3-oxazol-2-yl]methanamine

• ChemBase ID: 284693
• Molecular Formular: C8H8N2OS
• Molecular Mass: 180.22692
• Monoisotopic Mass: 180.03573389
• SMILES: c1(oc(nc1)CN)c1sccc1
• Canonical SMILES: NCc1ncc(o1)c1cccs1
• InChI: InChI=1S/C8H8N2OS/c9-4-8-10-5-6(11-8)7-2-1-3-12-7/h1-3,5H,4,9H2
• InChIKey: QXOACOMWUVGDLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(thiophen-2-yl)-1,3-oxazol-2-yl]methanamine
• IUPAC Traditional name: [5-(thiophen-2-yl)-1,3-oxazol-2-yl]methanamine
• Synonyms: [5-(thiophen-2-yl)-1,3-oxazol-2-yl]methanamine

Database IDs

• MDL Number: MFCD09884216
• PubChem SID: 180670224
• PubChem CID: 24254942

CALCULATED PROPERTIES

• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3383102
• LogD (pH = 7.4): 0.1978429
• Log P: 0.45844662
• Molar Refractivity: 46.4714 cm^3
• Polarizability: 19.294424 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.766

Product Information

• Purity: 95%