Basic information
- Standard SMILES
COc1ccc(-c2ocnc2C(=O)Nc2cnn(Cc3ccc(C(C)=O)o3)c2)cc1- InChIKey
AFWVPIFRRQZHED-UHFFFAOYSA-N- Molecular formula
- C21H18N4O5
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.12771969
Names & identifiers
- Preferred name
- 5-(4-Methoxy-phenyl)-oxazole-4-carboxylic acid [1-(5-acetyl-furan-2-ylmethyl)-1H-pyrazol-4-yl]-amide
- IUPAC
- N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
Names & synonyms
SCHEMBL1166364AFWVPIFRRQZHED-UHFFFAOYSA-N5-(4-Methoxy-phenyl)-oxazole-4-carboxylic acid [1-(5-acetyl-furan-2-ylmethyl)-1H-pyrazol-4-yl]-amide
Database identifiers
- PubChem CID
- 42646541
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
1 records
Compound notes
Loading…