Basic information
- CAS
504-73-4- Standard SMILES
C1=NOCC1- InChIKey
WEQPBCSPRXFQQS-UHFFFAOYSA-N- Molecular formula
- C3H5NO
- Average molar mass
- 71.08 g/mol
- Monoisotopic mass
- 71.03711378
Names & identifiers
- Preferred name
- Isoxazoline
- IUPAC
- 4,5-dihydro-1,2-oxazole
- English name
- 4,5-Dihydroisoxazole
- Molecular formula
- C3H5NO
- Molecular weight
- 71.08
Names & synonyms
Isoxazoline4,5-DihydroisoxazoleIsoxazole, 4,5-dihydro-NBB8G944P3504-73-4DTXSID90486713isoxazolinesdihydroisoxazolesRefChem:150162CHEBI:87553DTXCID90437523dihydroisoxazole
Show more names
4,5-dihydro-1,2-oxazoleUNII-NBB8G944P32-IsoxazolineSCHEMBL9487SCHEMBL23511SCHEMBL24393SCHEMBL29652SCHEMBL233025
Database identifiers
- CAS
504-73-4- PubChem CID
- 12304501
- DTXSID
DTXSID90486713- UNII
- NBB8G944P3
- Nikkaji
- J327.190K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 50
Physicochemical properties
- Boiling point
- 73.8 · 73.8±23.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- FDA UNII
- 8 G944P3 · NBB8G944P3
Chemistry & industry
Applications
Description4,5-Dihydroisoxazoles (2-isoxazolines) contain an O-alkyl oxime moiety within a five-membered ring. These heterocycles draw tremendous interest as structural motifs of biologically active compounds and have established their position as synthons in synthetic organic chemistry. The compounds belonging to this class demonstrated their capacity to mask other functional groups for further functionalization of the ring to generate a variety of organic molecules.
Related reactions
2 records
Compound notes
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