2-(4-Pyridyl)-1,3,4-oxadiazol-5-one
Basic information
- CAS
2845-82-1- Standard SMILES
O=c1[nH]nc(-c2ccncc2)o1- InChIKey
ZSRKMMIFJWHGDV-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- 2-(4-Pyridyl)-1,3,4-oxadiazol-5-one
- IUPAC
- 5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one
- English name
- 5-(Pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
2845-82-11,3,4-OXADIAZOL-2-OL, 5-(4-PYRIDINYL)-1,3,4-Oxadiazol-2(3H)-one, 5-(4-pyridinyl)-DTXSID10182649RefChem:1061342DTXCID001051402-(4-Pyridyl)-1,3,4-oxadiazol-5-one5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-oneNeovadrineS 575-(4-Pyridyl)-1,3,4-oxadiazol-2-ol2-Pyridyl-(4)-1,3,4-oxadiazolon-(5)
Show more names
4-oxadiazol-2-ol,5-(4-pyridinyl)-35-(4-Pyridinyl)-1,3,4-oxadiazol-2-ol5-PYRIDIN-4-YL-3H-[1,3,4]OXADIAZOL-2-ONE5-(4-Pyridyl)-1,3,4-oxadiazole-2(3H)-one
5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-ol5-(pyridin-4-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-oneGVU6M5T5ZZZINC287719NSC-2252475-(4-pyridyl)-3H-1,3,4-oxadiazol-2-one5-(4-Pyridinyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- CAS
2845-82-1- PubChem CID
- 312924
- DTXSID
DTXSID10182649- ChEMBL
CHEMBL445256- UNII
- GVU6M5T5ZZ
- EC Number
- 155-071-1
- Nikkaji
- J64.543E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 306.42 °C · 306.42°C (rough estimate)
- Density
- 1.3943 · 1.3943 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 6 M5T5ZZ · GVU6M5T5ZZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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