Isoxazole, 3-methyl-5-(2-(2-(2-(1-pyrrolidinyl)ethoxy)phenyl)ethenyl)-, monohydrochloride, (E)-
Basic information
- CAS
139193-91-2- Standard SMILES
Cc1cc(/C=C/c2ccccc2OCCN2CCCC2)on1.Cl- InChIKey
NSDBUYIZXNAVPW-HRNDJLQDSA-N- Molecular formula
- C18H23ClN2O2
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1448057
Names & identifiers
- Preferred name
- Isoxazole, 3-methyl-5-(2-(2-(2-(1-pyrrolidinyl)ethoxy)phenyl)ethenyl)-, monohydrochloride, (E)-
- IUPAC
- 3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole;hydrochloride
- English name
- 3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]oxazole h ydrochloride
- Molecular formula
- C18H23ClN2O2
- Molecular weight
- 0
Names & synonyms
Isoxazole, 3-methyl-5-(2-(2-(2-(1-pyrrolidinyl)ethoxy)phenyl)ethenyl)-, monohydrochloride, (E)-139193-91-2RefChem:10878613-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole;hydrochloride3-methyl-5-[(E)-2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]oxazole h ydrochloride
Database identifiers
- CAS
139193-91-2- PubChem CID
- 6448482
Properties
Computed structural properties
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
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Related reactions
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Compound notes
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