Basic information
- CAS
851911-08-5- Standard SMILES
COc1ccc(C2=NN(C(=O)COc3ccc(-c4nnco4)cc3)C(c3ccco3)C2)cc1- InChIKey
YPQNCBJKZOPEKU-UHFFFAOYSA-N- Molecular formula
- C24H20N4O5
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.14336975
Names & identifiers
- Preferred name
- 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethan-1-one
- IUPAC
- 1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
Names & synonyms
851911-08-51-[5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethan-1-one1-(5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(4-(1,3,4-oxadiazol-2-yl)phenoxy)ethan-1-oneRefChem:426142862-442-81-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanoneHMS1748P20AKOS0339402702-(4-(1,3,4-Oxadiazol-2-yl)phenoxy)-1-(5-(furan-2-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-oneEN300-27160510Z25383194
Database identifiers
- CAS
851911-08-5- PubChem CID
- 4884876
- EC Number
- 862-442-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 690
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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