Isoxazole, 5-phenyl-3-(1-pyrrolidinylmethyl)-, hydrochloride
Basic information
- CAS
1215-25-4- Standard SMILES
[Cl-].c1ccc(-c2cc(C[NH+]3CCCC3)no2)cc1- InChIKey
JUJOOLXUTJFCPF-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- Isoxazole, 5-phenyl-3-(1-pyrrolidinylmethyl)-, hydrochloride
- IUPAC
- 5-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
Names & synonyms
1215-25-4Isoxazole, 5-phenyl-3-(pyrrolidinomethyl)-, hydrochloride3-(Pyrrolidinomethyl)-5-phenylisoxazole hydrochlorideISOXAZOLE, 5-PHENYL-3-(1-PYRROLIDINYLMETHYL)-, HYDROCHLORIDERefChem:3502595-Phenyl-3-(pyrrolidin-1-ylmethyl)isoxazolehydrochloride5-Phenyl-3-(pyrrolidin-1-ylmethyl)isoxazole hydrochloride5-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazole;chloride
Database identifiers
- CAS
1215-25-4- PubChem CID
- 14618
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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