5-Methyl-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
Basic information
- CAS
1316227-35-6- Standard SMILES
Cc1nc(C2CCCN2)no1- InChIKey
RFIKUEFSGRDOMQ-UHFFFAOYSA-N- Molecular formula
- C7H11N3O
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.09021198
Names & identifiers
- Preferred name
- 5-Methyl-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
- IUPAC
- 5-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
Names & synonyms
5-methyl-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole1316227-35-6RefChem:537077831-760-95-methyl-3-pyrrolidin-2-yl-1,2,4-oxadiazoleSCHEMBL19580480RCC22735AKOS011675343CCG-210036DB-196671CS-0253157EN300-62589
Show more names
5-Methyl-3-(2-pyrrolidinyl)-1,2,4-oxadiazoleZ979742716
Database identifiers
- CAS
1316227-35-6- PubChem CID
- 62388481
- EC Number
- 831-760-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
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Compound notes
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