I(2)-Amino-3-(2-thienylmethyl)-1,2,4-oxadiazole-5-ethanol
Basic information
- CAS
1248775-88-3- Standard SMILES
NC(CO)c1nc(Cc2cccs2)no1- InChIKey
YKYADADQEDAVIQ-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.05719778
Names & identifiers
- Preferred name
- I(2)-Amino-3-(2-thienylmethyl)-1,2,4-oxadiazole-5-ethanol
- IUPAC
- 2-amino-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
Names & synonyms
DTXSID701208143AKOS011791664I(2)-Amino-3-(2-thienylmethyl)-1,2,4-oxadiazole-5-ethanol2-Amino-2-{3-[(thiophen-2-yl)methyl]-1,2,4-oxadiazol-5-yl}ethan-1-ol1248775-88-3
Database identifiers
- CAS
1248775-88-3- PubChem CID
- 62502003
- DTXSID
DTXSID701208143
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
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Compound notes
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