2-[5-(7-Nitro-1H-indol-2-yl)-[1,2,4]oxadiazol-3-yl]-acetic acid methyl ester
Basic information
- Standard SMILES
COC(=O)Cc1noc(-c2cc3cccc([N+](=O)[O-])c3[nH]2)n1- InChIKey
YOEOFSVGBRFUHU-UHFFFAOYSA-N- Molecular formula
- C13H10N4O5
- Average molar mass
- 302.24 g/mol
Names & identifiers
- Preferred name
- 2-[5-(7-Nitro-1H-indol-2-yl)-[1,2,4]oxadiazol-3-yl]-acetic acid methyl ester
- IUPAC
- methyl 2-[5-(7-nitro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]acetate
Names & synonyms
SCHEMBL3012250YOEOFSVGBRFUHU-UHFFFAOYSA-N2-[5-(7-Nitro-1H-indol-2-yl)-[1,2,4]oxadiazol-3-yl]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 136337202
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
3 records
Compound notes
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