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

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Basic information

CAS: 187235-38-7
Standard SMILES: O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(Oc3ccccc3)cc1)C2
InChIKey: IZTYJZIECAMJBF-KRWDZBQOSA-N
Molecular formula: C19H17N3O5
Average molar mass: 367.4 g/mol
Monoisotopic mass: 367.11682065

Names & identifiers

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

Names & synonyms

187235-38-7(S)-2-Nitro-6-(4-phenoxy-benzyloxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazinePA-1122(S)-2-Nitro-6-((4-phenoxybenzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(6S)-2-nitro-6-[(4-phenoxyphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(S)-2-Nitro-6-(4-phenoxy-benzyloxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazineSCHEMBL30937428DTXSID10172020

Database identifiers

CAS: 187235-38-7
PubChem CID: 476503
DTXSID: DTXSID10172020

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 91.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 488

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Compound notes

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