Basic information
- Standard SMILES
OCCCc1nc(Cc2ccc(Cl)cc2)no1- InChIKey
LDWQMWNRESSHEP-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 3-{3-[(4-Chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-1-propanol
- IUPAC
- 3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
Names & synonyms
925252-25-1SCHEMBL837012LDWQMWNRESSHEP-UHFFFAOYSA-NAKOS017752107DA-253093-{3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-1-propanol
Database identifiers
- PubChem CID
- 66812939
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Related reactions
1 records
Compound notes
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