Basic information
- Standard SMILES
CS(=O)(=O)OC1CN(C(=O)c2nnc(-c3ccccc3)o2)C1- InChIKey
XIWGUHUUWOGCNE-UHFFFAOYSA-N- Molecular formula
- C13H13N3O5S
- Average molar mass
- 323.33 g/mol
Names & identifiers
- Preferred name
- 1-(5-Phenyl-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yl methanesulfonate
- IUPAC
- [1-(5-phenyl-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yl] methanesulfonate
Names & synonyms
1-(5-Phenyl-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yl methanesulfonate1254035-93-2SCHEMBL163360XIWGUHUUWOGCNE-UHFFFAOYSA-NDB-290834
Database identifiers
- PubChem CID
- 58043099
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Related reactions
23 records
Compound notes
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