5-(Furan-3-YL)-2-(heptadec-8-ene-1-sulfinyl)-1,3-oxazole
Basic information
- CAS
832077-61-9- Standard SMILES
CCCCCCCCC=CCCCCCCCS(=O)c1ncc(-c2ccoc2)o1- InChIKey
BQVDTCWRHDXKER-UHFFFAOYSA-N- Molecular formula
- C24H37NO3S
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.24941522
Names & identifiers
- Preferred name
- 5-(Furan-3-YL)-2-(heptadec-8-ene-1-sulfinyl)-1,3-oxazole
- IUPAC
- 5-(furan-3-yl)-2-heptadec-8-enylsulfinyl-1,3-oxazole
Names & synonyms
832077-61-9DTXSID508355465-(FURAN-3-YL)-2-(HEPTADEC-8-ENE-1-SULFINYL)-1,3-OXAZOLE
Database identifiers
- CAS
832077-61-9- PubChem CID
- 71416144
- DTXSID
DTXSID50835546
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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