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

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Basic information

CAS: 187235-29-6
Standard SMILES: O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1)C2
InChIKey: OELNBPAXKWBFGO-NSHDSACASA-N
Molecular formula: C13H13N3O4
Average molar mass: 275.26 g/mol
Monoisotopic mass: 275.0906059

Names & identifiers

Preferred name: (S)-6-Benzyloxy-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine
IUPAC: (6S)-2-nitro-6-phenylmethoxy-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Names & synonyms

187235-29-6(S)-6-Benzyloxy-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazinePA-651(S)-6-(Benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(S)-6-Benzyloxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazineSCHEMBL29808816DTXSID40172013(6S)-6-(Benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(6S)-6-benzyloxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

Database identifiers

CAS: 187235-29-6
PubChem CID: 476497
DTXSID: DTXSID40172013

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 82.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 343

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Compound notes

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