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Chemical structure of [5-(2-Thienyl)-3-isoxazolyl]methanol

GC76888

[5-(2-Thienyl)-3-isoxazolyl]methanol

Also known as (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol

[5-(2-Thienyl)-3-isoxazolyl]methanol (Compound D) is an AgrA-DNA binding inhibitor

ChemicalCAS194491-44-6MW181.21FormulaC8H7NO2S
CAS number
194491-44-6
Molecular weight
181.21
Formula
C8H7NO2S
Solubility
DMSO： 100 mg/mL (551·85 mM; Need ultrasonic)
InChIKey
HUAGDHXVPCSWLD-UHFFFAOYSA-N
Catalogue number
GC76888
Brand
GLPBIO
Computed properties PubChem CID 2776547 · XLogP 0.9 · TPSA 74.5 Ų · H-bond donors 1
XLogP
0.9
TPSA
74.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

SMILES C1=CSC(=C1)C2=CC(=NO2)CO

Computed descriptors from PubChem (CID 2776547), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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