Basic information
- CAS
1185303-76-7- Standard SMILES
Cl.O=c1oc(-c2cccs2)nn1CC1(O)CCNCC1- InChIKey
CEJOAQXDTOHUHZ-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O3S
- Average molar mass
- 317.79 g/mol
- Monoisotopic mass
- 317.0600902
Names & identifiers
- Preferred name
- 3-(4-Hydroxy-piperidin-4-ylmethyl)-5-thiophen-2-yl-3H-[1,3,4]oxadiazol-2-one hydrochloride
- IUPAC
- 3-[(4-hydroxypiperidin-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one;hydrochloride
- English name
- 3-(4-Hydroxy-piperidin-4-ylmethyl)-5-thiophen-2-yl-3H-[1,3,4]oxadiazol-2-one hydrochloride
- Molecular formula
- C12H16ClN3O3S
- Molecular weight
- 317.79
Names & synonyms
1185303-76-73-(4-Hydroxy-piperidin-4-ylmethyl)-5-thiophen-2-yl-3H-[1,3,4]oxadiazol-2-one hydrochloride3-((4-Hydroxypiperidin-4-yl)methyl)-5-(thiophen-2-yl)-1,3,4-oxadiazol-2(3H)-one hydrochlorideC12H16ClN3O3S3-[(4-hydroxypiperidin-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one;hydrochloride0516ADAKOS0158486163-((4-Hydroxypiperidin-4-yl)methyl)-5-(thiophen-2-yl)-1,3,4-oxadiazol-2(3H)-onehydrochloride
Database identifiers
- CAS
1185303-76-7- PubChem CID
- 46737101
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
CHEMSWORTH[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
ARENA CHEMICAL[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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