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Basic information
- Standard SMILES
COC(=O)CC1(C(=O)OC)N=C(SC)N(C)O1- InChIKey
IRIHZAOAZOVDLL-UHFFFAOYSA-N- Molecular formula
- C9H14N2O5S
- Average molar mass
- 262.29 g/mol
- Monoisotopic mass
- 262.06234272
Names & identifiers
- Preferred name
- Methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-3-(methylthio)-2,5-dihydro-1,2,4-oxadiazole-5-carboxylate
- IUPAC
- methyl 5-(2-methoxy-2-oxoethyl)-2-methyl-3-methylsulfanyl-1,2,4-oxadiazole-5-carboxylate
Names & synonyms
SCHEMBL15456205IRIHZAOAZOVDLL-UHFFFAOYSA-Nmethyl 5-(2-methoxy-2-oxoethyl)-2-methyl-3-(methylthio)-2,5-dihydro-1,2,4-oxadiazole-5-carboxylate
Database identifiers
- PubChem CID
- 86710285
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 359
Related reactions
1 records
Compound notes
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