Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CC1CC(c2ccc(I)c(F)c2)=NO1)c1ccon1- InChIKey
SIGFEYLOZOHXEF-UHFFFAOYSA-N- Molecular formula
- C18H19FIN3O4
- Average molar mass
- 487.3 g/mol
- Monoisotopic mass
- 487.04043
Names & identifiers
- Preferred name
- (5RS)-3-(3-Fluoro-4-iodophenyl)-5-(N-(t-butoxycarbonyl)isoxazol-3-ylaminomethyl)-4,5-dihydro-isoxazole
- IUPAC
- tert-butyl N-[[3-(3-fluoro-4-iodophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate
Names & synonyms
SCHEMBL5655571SIGFEYLOZOHXEF-UHFFFAOYSA-N(5RS)-3-(3-Fluoro-4-iodophenyl)-5-(N-(t-butoxycarbonyl)isoxazol-3-ylaminomethyl)-4,5-dihydro-isoxazole
Database identifiers
- PubChem CID
- 69521876
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 571
Related reactions
3 records
Compound notes
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