5-(4-Methoxy-phenyl)-2-methyl-oxazole-4-carboxylic acid [1-(5,5-difluoro-hexyl)-1H-pyrazol-4-yl]-amide
Basic information
- Standard SMILES
COc1ccc(-c2oc(C)nc2C(=O)Nc2cnn(CCCCC(C)(F)F)c2)cc1- InChIKey
JVRAPULPCWMQIX-UHFFFAOYSA-N- Molecular formula
- C21H24F2N4O3
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.18164696
Names & identifiers
- Preferred name
- 5-(4-Methoxy-phenyl)-2-methyl-oxazole-4-carboxylic acid [1-(5,5-difluoro-hexyl)-1H-pyrazol-4-yl]-amide
- IUPAC
- N-[1-(5,5-difluorohexyl)pyrazol-4-yl]-5-(4-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
Names & synonyms
5-(4-Methoxy-phenyl)-2-methyl-oxazole-4-carboxylic acid [1-(5,5-difluoro-hexyl)-1H-pyrazol-4-yl]-amideSCHEMBL1166513
Database identifiers
- PubChem CID
- 66928540
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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