5-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Basic information
- CAS
331989-77-6- Standard SMILES
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1- InChIKey
KVWCSKAFDFBAEH-UHFFFAOYSA-N- Molecular formula
- C15H11N3O4
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.07495584
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Names & synonyms
5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole331989-77-6Cambridge id 5687665DTXSID50351418STK016246AKOS001654229AB00093551-01AG-670/11759136SR-01000496575SR-01000496575-13-{3-nitrophenyl}-5-(4-methoxyphenyl)-1,2,4-oxadiazole
Database identifiers
- CAS
331989-77-6- PubChem CID
- 699606
- DTXSID
DTXSID50351418
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
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