Basic information
- Standard SMILES
CC(Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1- InChIKey
IMBVKBZWLRXRAW-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2N4O2
- Average molar mass
- 427.3 g/mol
Names & identifiers
- Preferred name
- 2-(2,3-dichloroanilino)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
- IUPAC
- 2-(2,3-dichloroanilino)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
Names & synonyms
CHEMBL2348793SCHEMBL15597621IMBVKBZWLRXRAW-UHFFFAOYSA-N2-(2,3-dichloroanilino)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide2-(2,3-dichlorophenylamino)-N-(2-(pyridine-4-yl)benzo [d]oxazol-5-yl)propanamide2-(2,3-dichlorophenylamino)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide
Database identifiers
- PubChem CID
- 71662590
- ChEMBL
CHEMBL2348793
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
1 records
Compound notes
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