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

C8H10N4O4 — CID 140609193

IUPAC2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide
SMILESNC(=O)C[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C8H10N4O4/c9-6(13)1-5-2-11-3-7(12(14)15)10-8(11)16-4-5/h3,5H,1-2,4H2,(H2,9,13)/t5-/m0/s1
InChIKeyIFABSTXPFPMBFY-YFKPBYRVSA-N
MW226.19 g/mol
LogP-0.32
Rot. Bonds3

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

2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide (PubChem CID 140609193) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide.

Molecular Properties

Compound Name2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide
PubChem CID140609193
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide
SMILESNC(=O)C[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C8H10N4O4/c9-6(13)1-5-2-11-3-7(12(14)15)10-8(11)16-4-5/h3,5H,1-2,4H2,(H2,9,13)/t5-/m0/s1
InChIKeyIFABSTXPFPMBFY-YFKPBYRVSA-N
XLogP-0.32
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 77395808
6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 75071587
(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenoxy]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50914370
(6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazol-2-yl)methyl carbamate
CID 89437400
(6S)-6-(5-bromopyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 68545247
(6S)-6-(5-bromo-4-methoxypyrimidin-2-yl)oxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 68545745
6-[(3-bromophenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 68545466
(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627875
N-(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 71593178
2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 21062559
[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl] N-[4-(4-fluorophenyl)phenyl]carbamate
CID 56946501
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 25232905

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide?
The IUPAC name of 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide (CID 140609193) is 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide.
What is the SMILES notation for 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide?
The canonical SMILES for 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide is NC(=O)C[C@@H]1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide?
The InChIKey is IFABSTXPFPMBFY-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-6(13)1-5-2-11-3-7(12(14)15)10-8(11)16-4-5/h3,5H,1-2,4H2,(H2,9,13)/t5-/m0/s1.
What are the key properties of 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide?
2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide has a molecular weight of 226.19 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]acetamide is sourced from PubChem (CID 140609193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).