8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C8H11N3O4 — CID 12519462

IUPAC8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCCOC1OCCn2c([N+](=O)[O-])cnc21
InChIInChI=1S/C8H11N3O4/c1-2-14-8-7-9-5-6(11(12)13)10(7)3-4-15-8/h5,8H,2-4H2,1H3
InChIKeyOHFRYJLTPWLAHU-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.86
Rot. Bonds3

About 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 12519462) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID12519462
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCCOC1OCCn2c([N+](=O)[O-])cnc21
InChIInChI=1S/C8H11N3O4/c1-2-14-8-7-9-5-6(11(12)13)10(7)3-4-15-8/h5,8H,2-4H2,1H3
InChIKeyOHFRYJLTPWLAHU-UHFFFAOYSA-N
XLogP0.86
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
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

2-ethoxy-4-(2-nitro-1,3-thiazol-5-yl)morpholine
CID 10563215
6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 77395808
ethane;2-methyl-5-nitro-1-propylimidazole
CID 144763653
1-(methoxymethyl)-2-methyl-5-nitroimidazole
CID 131132277
2-(2-methyl-5-nitroimidazol-1-yl)acetaldehyde
CID 11105771
ethyl 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62011709
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-methyl-5-nitroimidazole
CID 3009121
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
[4-methoxy-1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidin-2-yl]methanamine
CID 115963762
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-nitropyrimidine
CID 62100534
2-[(2-ethoxyphenoxy)methyl]-4-[(4-nitrophenyl)methyl]morpholine
CID 11176211
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10992121

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 12519462) is 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is CCOC1OCCn2c([N+](=O)[O-])cnc21.
What is the InChIKey of 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is OHFRYJLTPWLAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-2-14-8-7-9-5-6(11(12)13)10(7)3-4-15-8/h5,8H,2-4H2,1H3.
What are the key properties of 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 213.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-nitro-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 12519462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).