2-[3-(Difluoromethoxy)phenyl]-4-[(3-methylphenyl)methylene]-5(4H)-oxazolone
Basic information
- CAS
1000930-24-4- Standard SMILES
Cc1cccc(C=C2N=C(c3cccc(OC(F)F)c3)OC2=O)c1- InChIKey
BNUYPUWNUXVZSH-UHFFFAOYSA-N- Molecular formula
- C18H13F2NO3
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.0863496
Names & identifiers
- Preferred name
- 2-[3-(Difluoromethoxy)phenyl]-4-[(3-methylphenyl)methylene]-5(4H)-oxazolone
- IUPAC
- 2-[3-(difluoromethoxy)phenyl]-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
Names & synonyms
DTXSID701142995AKOS0306516992-[3-(Difluoromethoxy)phenyl]-4-[(3-methylphenyl)methylene]-5(4H)-oxazolone2-[3-(Difluoromethoxy)phenyl]-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5(4H)-one1000930-24-4
Database identifiers
- CAS
1000930-24-4- PubChem CID
- 72036639
- DTXSID
DTXSID701142995
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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