[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methanamine

• ChemBase ID: 264182
• Molecular Formular: C8H8N2OS
• Molecular Mass: 180.22692
• Monoisotopic Mass: 180.03573389
• SMILES: n1c(occ1CN)c1sccc1
• Canonical SMILES: NCc1coc(n1)c1cccs1
• InChI: InChI=1S/C8H8N2OS/c9-4-6-5-11-8(10-6)7-2-1-3-12-7/h1-3,5H,4,9H2
• InChIKey: FCSLMYPGDAPEJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(thiophen-2-yl)-1,3-oxazol-4-yl]methanamine
• IUPAC Traditional name: [2-(thiophen-2-yl)-1,3-oxazol-4-yl]methanamine
• Synonyms: [2-(thiophen-2-yl)-1,3-oxazol-4-yl]methanamine

Database IDs

• MDL Number: MFCD08444294
• PubChem SID: 164320092
• PubChem CID: 9317149

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.52368
• LogD (pH = 7.4): 0.16615786
• Log P: 0.92429584
• Molar Refractivity: 56.7101 cm^3
• Polarizability: 18.629856 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.766

Product Information

• Purity: 95%