Basic information
- CAS
1215-24-3- Standard SMILES
[Cl-].c1ccc(-c2cc(C[NH+]3CCCC3)on2)cc1- InChIKey
LNXLLTBNBPLPGO-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- Isoxazole, 3-phenyl-5-(1-pyrrolidinylmethyl)-, hydrochloride
- IUPAC
- 3-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
Names & synonyms
Phenyl-5-(pyrrolidinomethyl)isoxazole hydrochlorideIsoxazole, 3-phenyl-5-(pyrrolidinomethyl)-, hydrochlorideISOXAZOLE, 3-PHENYL-5-(1-PYRROLIDINYLMETHYL)-, HYDROCHLORIDE1215-24-3RefChem:350218
Database identifiers
- CAS
1215-24-3- PubChem CID
- 14616
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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