Basic information
- CAS
138453-37-9- Standard SMILES
Cc1oncc1NC1=CC(=O)C(=O)c2ccccc21- InChIKey
FOOWZVXRYSYDHR-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.06914219
Names & identifiers
- Preferred name
- 4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione
- IUPAC
- 4-[(5-methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione
Names & synonyms
NSC6737864-[(5-methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione138473-92-4CHEMBL1971094DTXSID509301212-Hydroxy-4-((5-methyl-4-isoxazolyl)imino)-1(4H)-naphthalenoneNSC-673786NCI60_0261071,2-Naphthalenedione, 4-((5-methyl-4-isoxazolyl)amino)-(4E)-2-hydroxy-4-(5-methylisoxazol-4-yl)imino-naphthalen-1-one
Database identifiers
- CAS
138453-37-9- PubChem CID
- 178500
- DTXSID
DTXSID50930121- ChEMBL
CHEMBL1971094- Nikkaji
- J453.027F、J453.028D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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