Basic information
- CAS
1087-04-3- Standard SMILES
[Cl-].c1ccc(-c2cc(CC[NH+]3CCCC3)on2)cc1- InChIKey
NVZVMBPYLBWVBZ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- Isoxazole, 5-(2-pyrrolidinylethyl)-3-phenyl-, hydrochloride
- IUPAC
- 3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole chloride
Names & synonyms
Isoxazole, 5-(2-pyrrolidinoethyl)-3-phenyl-, hydrochloride3-Phenyl-5-(2-pyrrolidinoethyl)isoxazole hydrochlorideISOXAZOLE, 5-(2-PYRROLIDINYLETHYL)-3-PHENYL-, HYDROCHLORIDE1087-04-3RefChem:350245
Database identifiers
- CAS
1087-04-3- PubChem CID
- 14149
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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