2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
Basic information
- CAS
56352-92-2- Standard SMILES
Cc1ccc(-c2nnc(-c3cccnc3)o2)cc1- InChIKey
WYYYIYXYBQGPMC-UHFFFAOYSA-N- Molecular formula
- C14H11N3O
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.09021198
Names & identifiers
- Preferred name
- 2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
- IUPAC
- 2-(4-methylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
- English name
- 2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
- Molecular formula
- C14H11N3O
- Molecular weight
- 237.26
Names & synonyms
2-(3-PYRIDYL)-5-(4-TOLYL)-1,3,4-OXADIAZOLERefChem:455919651-766-356352-92-22-(Pyridin-3-yl)-5-(p-tolyl)-1,3,4-oxadiazole3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyridine2-(4-methylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazoleCBMicro_022591MLS001163878SCHEMBL2278530CHEMBL1241453DTXSID80357423
Show more names
HMS2872B21Pyridine, 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-CCG-9560STL298202AKOS022128914SMR000539254BIM-0022592.P001DB-133931
Database identifiers
- CAS
56352-92-2- PubChem CID
- 853396
- DTXSID
DTXSID80357423- ChEMBL
CHEMBL1241453- EC Number
- 651-766-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
Solubility34.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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