N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
Basic information
- CAS
1394716-46-1- Standard SMILES
CC(=O)N(Cc1ncc(C(C)C)o1)C1CCNC1- InChIKey
BBPCZOMOPFDMKH-UHFFFAOYSA-N- Molecular formula
- C13H21N3O2
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.16337692
Names & identifiers
- Preferred name
- N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
- IUPAC
- N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamide
- English name
- N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
- Molecular formula
- C13H21N3O2
- Molecular weight
- 251.32
Names & synonyms
1394716-46-1N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamideN-((5-(propan-2-yl)-1,3-oxazol-2-yl)methyl)-N-(pyrrolidin-3-yl)acetamideN-([5-(PROPAN-2-YL)-1,3-OXAZOL-2-YL]METHYL)-N-(PYRROLIDIN-3-YL)ACETAMIDERefChem:823092981-697-7N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-pyrrolidin-3-ylacetamideCHEMBL4521795AKOS025463372EN300-94055G58696Z1268154946
Show more names
Acetamide, N-[[5-(1-methylethyl)-2-oxazolyl]methyl]-N-3-pyrrolidinyl-
N-((5-isopropyloxazol-2-yl)methyl)-N-(pyrrolidin-3-yl)acetamide
Database identifiers
- CAS
1394716-46-1- PubChem CID
- 71873201
- ChEMBL
CHEMBL4521795- EC Number
- 981-697-7
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 385.4 · 385.4±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.10(Predicted)
- 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.
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%)
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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