N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

C15H13F3N4O6 — CID 25232905

IUPACN-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESO=C(COc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C15H13F3N4O6/c16-15(17,18)28-11-3-1-10(2-4-11)26-8-13(23)19-9-5-21-6-12(22(24)25)20-14(21)27-7-9/h1-4,6,9H,5,7-8H2,(H,19,23)/t9-/m0/s1
InChIKeyWRRSLLXFFKADJH-VIFPVBQESA-N
MW402.29 g/mol
LogP1.65
Rot. Bonds6

About N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 25232905) has the molecular formula C15H13F3N4O6 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID25232905
Molecular FormulaC15H13F3N4O6
Molecular Weight402.29 g/mol
Exact Mass402.08
IUPAC NameN-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESO=C(COc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C15H13F3N4O6/c16-15(17,18)28-11-3-1-10(2-4-11)26-8-13(23)19-9-5-21-6-12(22(24)25)20-14(21)27-7-9/h1-4,6,9H,5,7-8H2,(H,19,23)/t9-/m0/s1
InChIKeyWRRSLLXFFKADJH-VIFPVBQESA-N
XLogP1.65
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 71593178
(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50914370
(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 6320903
2-[5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-dihydroisoindol-2-yl]-N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide
CID 73438152
(6S)-2-nitro-N-[[6-[2-[4-(trifluoromethoxy)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
CID 121404761
1-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 56946183
(6S)-2-nitro-6-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 54757189
(6S)-2-nitro-6-[[5-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-2-pyridinyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50916526
(6S)-2-nitro-N-[[6-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-3-pyridinyl]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
CID 121404847
2-chloro-N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 53466260
1-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-3-[[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]urea
CID 56946395
(6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627762

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 25232905) is N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is O=C(COc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is WRRSLLXFFKADJH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13F3N4O6/c16-15(17,18)28-11-3-1-10(2-4-11)26-8-13(23)19-9-5-21-6-12(22(24)25)20-14(21)27-7-9/h1-4,6,9H,5,7-8H2,(H,19,23)/t9-/m0/s1.
What are the key properties of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 402.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 25232905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).