2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
Basic information
- CAS
14093-97-1- Standard SMILES
c1ccc(-c2nnc(-c3ccco3)o2)cc1- InChIKey
RUMMFSKZAJIGOV-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.0585775
Names & identifiers
- Preferred name
- 2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(furan-2-yl)-5-phenyl-1,3,4-oxadiazole
- English name
- 2-(2-furyl)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C12H8N2O2
- Molecular weight
- 212.2
Names & synonyms
2-(2-Furyl)-5-phenyl-1,3,4-oxadiazolePY2SFS94CDEINECS 237-942-9DTXSID701614952-(2-FURANYL)-5-PHENYL-1,3,4-OXADIAZOLE1,3,4-OXADIAZOLE, 2-(2-FURANYL)-5-PHENYL-RefChem:84061DTXCID3083986237-942-914093-97-12-(furan-2-yl)-5-phenyl-1,3,4-oxadiazole2-furyl-5-phenyl-1,3,4-oxadiazol
Show more names
MLS000048653Enamine_000004UNII-PY2SFS94CD2-PHENYL-5-(2-FURYL)-1,3,4-OXADIAZOLECHEMBL1337634RUMMFSKZAJIGOV-UHFFFAOYSA-NHMS1394A04HMS2342N09
Database identifiers
- CAS
14093-97-1- PubChem CID
- 84193
- DTXSID
DTXSID70161495- ChEMBL
CHEMBL1337634- UNII
- PY2SFS94CD
- EC Number
- 237-942-9
- Nikkaji
- J216.864B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 359.9 · 359.9±34.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- -5.36 · -5.36±0.32(Predicted)
- FDA UNII
- 2 SFS94CD · PY2SFS94CD
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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