5-(3-Dimethylamino-phenyl)-oxazole-4-carboxylic acid [2-(5-acetyl-thiophen-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide
Basic information
- Standard SMILES
CC(=O)c1ccc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(N(C)C)c3)n2)s1- InChIKey
KXYDTERAOWVKMU-UHFFFAOYSA-N- Molecular formula
- C21H20N6O3S
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 5-(3-Dimethylamino-phenyl)-oxazole-4-carboxylic acid [2-(5-acetyl-thiophen-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide
- IUPAC
- N-[2-[(5-acetylthiophen-2-yl)methyl]triazol-4-yl]-5-[3-(dimethylamino)phenyl]-1,3-oxazole-4-carboxamide
Names & synonyms
SCHEMBL2331053KXYDTERAOWVKMU-UHFFFAOYSA-N5-(3-Dimethylamino-phenyl)-oxazole-4-carboxylic acid [2-(5-acetyl-thiophen-2-ylmethyl)-2H-[1,2,3]triazol-4-yl]-amide
Database identifiers
- PubChem CID
- 67366452
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 653
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Related reactions
1 records
Compound notes
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