(S)-6-(2,4-Difluoro-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine

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Basic information

CAS: 187235-32-1
Standard SMILES: O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(F)cc1F)C2
InChIKey: WOZZMKNJHPMKLM-JTQLQIEISA-N
Molecular formula: C13H11F2N3O4
Average molar mass: 311.24 g/mol
Monoisotopic mass: 311.07176216

Names & identifiers

Preferred name: (S)-6-(2,4-Difluoro-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine
IUPAC: (6S)-6-[(2,4-difluorophenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Names & synonyms

187235-32-1(S)-6-(2,4-Difluoro-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazinePA-654(S)-6-((2,4-Difluorobenzyl)oxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(6S)-6-[(2,4-difluorophenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(S)-6-(2,4-Difluoro-benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazineDTXSID60172015

Database identifiers

CAS: 187235-32-1
PubChem CID: 476499
DTXSID: DTXSID60172015

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 82.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 411

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