5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-
Basic information
- CAS
61369-26-4- Standard SMILES
CCOC=C1N=C(Cc2ccccc2)OC1=O- InChIKey
KDXYERQLMHLLJT-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-
- IUPAC
- 2-benzyl-4-(ethoxymethylidene)-1,3-oxazol-5-one
Names & synonyms
SCHEMBL61780315(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-DTXSID303267652-benzyl-4-(ethoxymethylidene)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
61369-26-4- PubChem CID
- 356929
- DTXSID
DTXSID30326765
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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