Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1=NC(CF)(c2cccc(N=[N+]=[N-])c2)COC1- InChIKey
AHCXPTQZCAFSRV-UHFFFAOYSA-N- Molecular formula
- C16H20FN5O3
- Average molar mass
- 349.36 g/mol
Names & identifiers
- Preferred name
- [5-(3-Azido-phenyl)-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[5-(3-azidophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
Names & synonyms
AHCXPTQZCAFSRV-UHFFFAOYSA-N[5-(3-Azido-phenyl)-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester[5-(3-azido-phenyl)-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86650252
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Related reactions
11 records
Compound notes
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