The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
(5-(2-THIENYL)-3-ISOXAZOLYL)METHANOL , CAS No.194491-44-6
Basic Description
Synonyms
194491-44-6 | [5-(2-thienyl)-3-isoxazolyl]methanol | [5-(thiophen-2-yl)-1,2-oxazol-3-yl]methanol | (5-(thiophen-2-yl)isoxazol-3-yl)methanol | (5-thiophen-2-yl-1,2-oxazol-3-yl)methanol | (5-Thiophen-2-Ylisoxazol-3-Yl)methanol | CHEMBL1230155 | (5-(2-THIENYL)-3-ISOXAZOLY
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Isoxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Isoxazoles
Alternative Parents
Thiophenes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Thiophene - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(5-thiophen-2-yl-1,2-oxazol-3-yl)methanol
INCHI
InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
InChIKey
HUAGDHXVPCSWLD-UHFFFAOYSA-N
Smiles
C1=CSC(=C1)C2=CC(=NO2)CO
Isomeric SMILES
C1=CSC(=C1)C2=CC(=NO2)CO
PubChem CID
2776547
Molecular Weight
181.214
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
181.210 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
181.02 Da
Monoisotopic Mass
181.02 Da
Topological Polar Surface Area
74.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
156.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
