Basic information
- Standard SMILES
CC(=O)c1csc(Cn2ccc(NC(=O)c3nc(C)oc3-c3cccc(Cl)c3)n2)n1- InChIKey
BPECEJUAJAXCRI-UHFFFAOYSA-N- Molecular formula
- C20H16ClN5O3S
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.0662383
Names & identifiers
- Preferred name
- 5-(3-Chloro-phenyl)-2-methyl-oxazole-4-carboxylic acid [1-(4-acetyl-thiazol-2-ylmethyl)-1H-pyrazol-3-yl]-amide
- IUPAC
- N-[1-[(4-acetyl-1,3-thiazol-2-yl)methyl]pyrazol-3-yl]-5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
Names & synonyms
SCHEMBL1166104BPECEJUAJAXCRI-UHFFFAOYSA-N5-(3-Chloro-phenyl)-2-methyl-oxazole-4-carboxylic acid [1-(4-acetyl-thiazol-2-ylmethyl)-1H-pyrazol-3-yl]-amide
Database identifiers
- PubChem CID
- 66928221
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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