3-(4-Methylphenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole
Basic information
- CAS
853102-38-2- Standard SMILES
Cc1ccc(-c2noc(C3CCCN3)n2)cc1- InChIKey
MYCMHXVZSRZJOH-UHFFFAOYSA-N- Molecular formula
- C13H15N3O
- Average molar mass
- 229.28 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole
- IUPAC
- 3-(4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
- English name
- 3-(4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
- Molecular formula
- C13H15N3O
- Molecular weight
- 229.28
Names & synonyms
3-(4-methylphenyl)-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole853102-38-25-(Pyrrolidin-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole3-(4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazoleMFCD09750326HMS5107G11STL183932AKOS009225937BS-4353CS-03170943-(p-tolyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-(2-pyrrolidinyl)-
Database identifiers
- CAS
853102-38-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 388.2 · 388.2±52.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- pka
- 7.19 · 7.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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