3,3,3-Trifluoro-2-methoxy-N-((S)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazin-6-yl)-2-phenyl-propionamide

HCID 476512

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Basic information

CAS: 187235-44-5
Standard SMILES: COC(C(=O)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)(c1ccccc1)C(F)(F)F
InChIKey: NTOGPFOKAGOZDF-VPHXOMNUSA-N
Molecular formula: C16H15F3N4O5
Average molar mass: 400.31 g/mol
Monoisotopic mass: 400.09945408

Names & identifiers

Preferred name: 3,3,3-Trifluoro-2-methoxy-N-((S)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazin-6-yl)-2-phenyl-propionamide
IUPAC: 3,3,3-trifluoro-2-methoxy-N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-phenylpropanamide

Names & synonyms

PA-1170187235-44-53,3,3-Trifluoro-2-methoxy-N-((S)-2-nitro-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazin-6-yl)-2-phenyl-propionamide3,3,3-Trifluoro-2-methoxy-N-((S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-phenyl-propionamideSCHEMBL30201580DTXSID909401883,3,3-Trifluoro-2-methoxy-N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-phenylpropanimidic acid3,3,3-trifluoro-2-methoxy-N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-phenyl-propanamide3,3,3-Trifluoro-2-methoxy-N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-phenylpropanimidic acid

Database identifiers

CAS: 187235-44-5
PubChem CID: 476512
DTXSID: DTXSID90940188

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 596

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