Basic information
- CAS
79349-24-9- Standard SMILES
Oc1ccccc1-c1nc(-c2ccccc2)no1- InChIKey
VNCIJMRFIRKERM-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
- IUPAC
- 2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
Names & synonyms
2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol79349-24-9RefChem:84268868-490-65-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazolePhenol, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-CHEMBL1876217ChemDiv3_002096Cambridge id 5347279SCHEMBL5736756DTXSID60425235VNCIJMRFIRKERM-UHFFFAOYSA-N
Show more names
HMS1478P06EDA34924BDBM50576851CCG-17961AKOS000591629EBC-160050IDI1_021062DB-111520
Database identifiers
- CAS
79349-24-9- PubChem CID
- 779192
- DTXSID
DTXSID60425235- ChEMBL
CHEMBL1876217- EC Number
- 868-490-6
- Nikkaji
- J874.080A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
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%)
Related reactions
6 records
Compound notes
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