5-[(3-Chlorophenyl)methyl]-1,3,4-oxadiazol-2(3H)-one
Basic information
- CAS
34547-05-2- Standard SMILES
O=c1[nH]nc(Cc2cccc(Cl)c2)o1- InChIKey
WFUPBDRGAVTVPO-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O2
- Average molar mass
- 210.62 g/mol
- Monoisotopic mass
- 210.0196052
Names & identifiers
- Preferred name
- 5-[(3-Chlorophenyl)methyl]-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-[(3-chlorophenyl)methyl]-3H-1,3,4-oxadiazol-2-one
Names & synonyms
5-[(3-Chlorophenyl)methyl]-1,3,4-oxadiazol-2(3H)-oneDTXSID201217610AKOS01351439334547-05-2
Database identifiers
- CAS
34547-05-2- PubChem CID
- 21822706
- DTXSID
DTXSID201217610
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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