Basic information
- Standard SMILES
Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CC=O)c2)c1- InChIKey
DLAGGVJMCXEWBN-UHFFFAOYSA-N- Molecular formula
- C16H14N4O3
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.10659032
Names & identifiers
- Preferred name
- N-(1-(2-oxoethyl)-1H-pyrazol-4-yl)-5-(m-tolyl)oxazole-4-carboxamide
- IUPAC
- 5-(3-methylphenyl)-N-[1-(2-oxoethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
Names & synonyms
N-(1-(2-oxoethyl)-1H-pyrazol-4-yl)-5-(m-tolyl)oxazole-4-carboxamide1394162-64-1SCHEMBL16612875DLAGGVJMCXEWBN-UHFFFAOYSA-NDB-352174
Database identifiers
- PubChem CID
- 86704232
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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