Isoxazole, 5-(2-morpholinoethyl)-3-phenyl, hydrochloride
Basic information
- CAS
1088-87-5- Standard SMILES
[Cl-].c1ccc(-c2cc(CC[NH+]3CCOCC3)on2)cc1- InChIKey
NJSVHDCSDBNMSD-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O2
- Average molar mass
- 294.77 g/mol
- Monoisotopic mass
- 294.1135055
Names & identifiers
- Preferred name
- Isoxazole, 5-(2-morpholinoethyl)-3-phenyl, hydrochloride
- IUPAC
- 4-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]morpholin-4-ium chloride
Names & synonyms
3-Phenyl-5-(2-morpholinoethyl)isoxazole hydrochloride1088-87-5ISOXAZOLE, 5-(2-MORPHOLINOETHYL)-3-PHENYL, HYDROCHLORIDERefChem:350243
Database identifiers
- CAS
1088-87-5- PubChem CID
- 14153
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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