Basic information
- Standard SMILES
COC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1- InChIKey
MYJOWDJXRXSOKN-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate
- IUPAC
- methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate
Names & synonyms
methyl 4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoate724446-48-4MFCD038848274-(3-Phenyl-[1,2,4]oxadiazol-5-yl)-benzoic acid methyl esterSCHEMBL3674243MYJOWDJXRXSOKN-UHFFFAOYSA-NHMS1604E20AKOS000572674CCG-143482AP-964/42234837F545446Z1169847235
Database identifiers
- PubChem CID
- 851434
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
1 records
Compound notes
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