4-(1,3-Oxazol-5-yl)pyridine
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Basic information
- CAS
70380-75-5- Standard SMILES
c1cc(-c2cnco2)ccn1- InChIKey
AFQAOCIKCVFASO-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- 4-(1,3-Oxazol-5-yl)pyridine
- IUPAC
- 5-pyridin-4-yl-1,3-oxazole
- English name
- 5-(4-PYRIDYL)-1,3-OXAZOLE
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
4-(1,3-oxazol-5-yl)pyridineRefChem:510180959-229-870380-75-55-(4-pyridyl)-1,3-oxazole5-(Pyridin-4-yl)oxazoleMFCD000851625-pyridin-4-yl-1,3-oxazole5-(4-pyridyl)oxazoleCHEMBL1643353DTXSID40353188STK524384
Show more names
5-(PYRID-4-YL)OXAZOLEPyridine, 4-(5-oxazolyl)-5-(Pyridin-4-yl)-1,3-oxazole4-(1,3-Oxazol-5-yl)pyridine97%4-(1,3-Oxazol-5-yl)pyridine 97%5-(Pyridin-4-yl)-1,3-oxazole 97%
AKOS005199339AT34250PS-4619CS-0235421EN300-1565194-Oxazol-5-yl-pyridineZ1201618990FT-0619673
Database identifiers
- CAS
70380-75-5- PubChem CID
- 737192
- DTXSID
DTXSID40353188- ChEMBL
CHEMBL1643353- EC Number
- 959-229-8
- Nikkaji
- J1.621.583J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Melting point
- 122 · 122-125
- Boiling point
- 274.6 · 274.6±15.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.10(Predicted)
- CAS DataBase Reference
- 70380 · 70380-75-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P260
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Harmful
- HS Code
- 2933399990 · 2933399990
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 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933399990
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- safety_code
- 26
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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