Basic information
- Standard SMILES
COC(=O)c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1- InChIKey
XJEQCOIOJKBDFX-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O3
- Average molar mass
- 314.72 g/mol
- Monoisotopic mass
- 314.0458199
Names & identifiers
- Preferred name
- 3-[5-(2-Chlorophenyl)-[1,3,4]oxadiazol-2-yl]-benzoic acid methyl ester
- IUPAC
- methyl 3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzoate
Names & synonyms
SCHEMBL4409278XJEQCOIOJKBDFX-UHFFFAOYSA-N3-[5-(2-Chlorophenyl)-[1,3,4]oxadiazol-2-yl]-benzoic acid methyl ester3-[5-(2-chlorophenyl)-[1,3,4]oxadiazole-2-yl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69032199
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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