3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one;pyridine
Basic information
- CAS
13571-97-6- Standard SMILES
CC1=NOC(=O)C1=Cc1c(C)[nH]oc1=O.c1ccncc1- InChIKey
HQHYUDDXMBFYJN-UHFFFAOYSA-N- Molecular formula
- C14H13N3O4
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.0906059
Names & identifiers
- Preferred name
- 3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one;pyridine
- IUPAC
- 3-methyl-4-[(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)methylidene]-1,2-oxazol-5-one;pyridine
Names & synonyms
13571-97-6DTXSID907215703-Methyl-4-[(3-methyl-5-oxo-1,2-oxazol-4(5H)-ylidene)methyl]-1,2-oxazol-5(2H)-one--pyridine (1/1)
Database identifiers
- CAS
13571-97-6- PubChem CID
- 57348128
- DTXSID
DTXSID90721570
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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