Basic information
- Standard SMILES
O=C(NC1=NCCO1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1- InChIKey
RCUYUEYBUUZHCV-UHFFFAOYSA-N- Molecular formula
- C22H16Cl2N4O3
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 454.0599458
Names & identifiers
- Preferred name
- 2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(4,5-dihydrooxazol-2-yl)terephthalamide
- IUPAC
- 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(4,5-dihydro-1,3-oxazol-2-yl)benzene-1,4-dicarboxamide
Names & synonyms
SCHEMBL1251381SCHEMBL30572103RCUYUEYBUUZHCV-UHFFFAOYSA-N2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(4,5-dihydrooxazol-2-yl)terephthalamide
Database identifiers
- PubChem CID
- 58614899
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 692
Related reactions
4 records
Compound notes
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