Benzoxazole, 5-methoxy-2-((2-piperidinoethyl)thio)-, monohydrochloride
Basic information
- CAS
14627-01-1- Standard SMILES
COc1ccc2oc(SCC[NH+]3CCCCC3)nc2c1.[Cl-]- InChIKey
ZMIMYODFNMAMBV-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O2S
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1012268
Names & identifiers
- Preferred name
- Benzoxazole, 5-methoxy-2-((2-piperidinoethyl)thio)-, monohydrochloride
- IUPAC
- 5-methoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
Names & synonyms
5-Methoxy-2-((2-piperidinoethyl)thio)benzoxazole hydrochloride14627-01-1BENZOXAZOLE, 5-METHOXY-2-((2-PIPERIDINOETHYL)THIO)-, MONOHYDROCHLORIDERefChem:328286
Database identifiers
- CAS
14627-01-1- PubChem CID
- 26775
Properties
Computed structural properties
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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