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Basic Description
| Synonyms | SCHEMBL5356293 | FT-0680039 | (3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl)methanol | AKOS000125437 | [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol | DTXSID40376938 | 3-(4-Chlorophenyl)-5-(hydroxymethyl)-1,2,4-oxadiazole | J-501073 | MFCD06200919 | US1163 |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxadiazoles
- Level5 1,2,4-oxadiazoles
- Level6 Phenyloxadiazoles
- Level5 1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | 1,2,4-oxadiazoles |
| Direct Parent | Phenyloxadiazoles |
| Alternative Parents | Chlorobenzenes Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504761742 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761742 |
| IUPAC Name | [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol |
| INCHI | InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)14-12-9/h1-4,13H,5H2 |
| InChIKey | SNHGRCYDLKXNSH-UHFFFAOYSA-N |
| Smiles | C1=CC(=CC=C1C2=NOC(=N2)CO)Cl |
| Isomeric SMILES | C1=CC(=CC=C1C2=NOC(=N2)CO)Cl |
| Molecular Weight | 210.62 |
| Reaxy-Rn | 1075681 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1075681&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2213354 |
Certificate of Analysis | May 12, 2025 | C356562 |
| H2213350 |
Certificate of Analysis | May 12, 2025 | C356562 |
| H2213347 |
Certificate of Analysis | May 12, 2025 | C356562 |
| C2505332 |
Certificate of Analysis | Jun 24, 2022 | C356562 |
Chemical and Physical Properties
| Melt Point(°C) | 96-99° |
|---|---|
| Molecular Weight | 210.620 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 210.02 Da |
| Monoisotopic Mass | 210.02 Da |
| Topological Polar Surface Area | 59.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
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