Basic information
- Standard SMILES
Cn1cccc1-c1nnc(-c2ccc(I)cc2)o1- InChIKey
JLPZCYQYIFLVHZ-UHFFFAOYSA-N- Molecular formula
- C13H10IN3O
- Average molar mass
- 351.14 g/mol
Names & identifiers
- Preferred name
- 2-(4-Iodophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole
- IUPAC
- 2-(4-iodophenyl)-5-(1-methylpyrrol-2-yl)-1,3,4-oxadiazole
Names & synonyms
SCHEMBL5112707JLPZCYQYIFLVHZ-UHFFFAOYSA-N2-(4-Iodophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-1,3,4-oxadiazole
Database identifiers
- PubChem CID
- 69315943
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
2 records
Compound notes
Loading…