Basic information
- CAS
3916-80-1- Standard SMILES
CC(=O)Nc1nnc(-c2ccccc2)o1- InChIKey
DIZOBXSYWYNPLR-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
- IUPAC
- N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
- English name
- N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide3916-80-1Acetamide, N-(5-phenyl-(1,3,4-oxadiazol-2-yl))-DTXSID70192401RefChem:1091359DTXCID401148922-Acetamido-5-phenyl-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-acetamido-5-phenyl-CBMicro_023486Oprea1_417960CCG-11099AKOS000641710
Show more names
Acetamide, N-(5-phenyl-1,3,4-oxadiazol-2-yl)-
SDCCGMLS-0065553.P001BIM-0023489.P001F1374-0841
Database identifiers
- CAS
3916-80-1- PubChem CID
- 199264
- DTXSID
DTXSID70192401- EC Number
- 158-736-4
- Nikkaji
- J73.503E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 223 °C · 223 °C(Solv: ethanol (64-17-5))
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 12.17 · 12.17±0.70(Predicted)
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%)
Chemistry & industry
Suppliers1 total
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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