Basic information
- Standard SMILES
Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1- InChIKey
BYZKBOZDHYZRQF-UHFFFAOYSA-N- Molecular formula
- C9H7N3O3
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.04874109
Names & identifiers
- Preferred name
- 2-Methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole
- IUPAC
- 2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole
Names & synonyms
2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazole122733-39-52-Methyl-5-(3-nitro-phenyl)-[1,3,4]oxadiazoleMFCD000851315-methyl-2-(3-nitrophenyl)-1,3,4-oxadiazole2-methyl-5-(3-nitrophenyl)-[1,3,4]oxadiazoleSCHEMBL4607599BYZKBOZDHYZRQF-UHFFFAOYSA-NXEA73339AKOS015842147AS-5296CCG-242907
Show more names
DB-338577ST50993804EN300-898392-methyl-5(3-nitrophenyl)-1,3,4-oxadiazoleF070155Z103982886
Database identifiers
- PubChem CID
- 2806331
- Nikkaji
- J436.161J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
3 records
Linked notes
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