Basic information
- CAS
84160-42-9- Standard SMILES
CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)o1- InChIKey
VKFQOWNJKYMGFW-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4S
- Average molar mass
- 294.33 g/mol
- Monoisotopic mass
- 294.06742811
Names & identifiers
- Preferred name
- Ethyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetate
- IUPAC
- ethyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Names & synonyms
84160-42-9Ethyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetateEthyl 2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetateRefChem:342321Ethyl {[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetateAcetic acid, 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-, ethyl esterethyl 2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]acetateCHEMBL1560151DTXSID801174585HMS1799M15SBB043056AKOS000269147
Show more names
NCGC00099730-01EU-0011426ST50131685ethyl 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Database identifiers
- CAS
84160-42-9- PubChem CID
- 697201
- DTXSID
DTXSID801174585- ChEMBL
CHEMBL1560151
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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