6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C7H9N3O4 — CID 75071587

IUPAC6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESCOC1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C7H9N3O4/c1-13-5-2-9-3-6(10(11)12)8-7(9)14-4-5/h3,5H,2,4H2,1H3
InChIKeyNBXCRLFFWUVSPA-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.20
Rot. Bonds2

About 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 75071587) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID75071587
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESCOC1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C7H9N3O4/c1-13-5-2-9-3-6(10(11)12)8-7(9)14-4-5/h3,5H,2,4H2,1H3
InChIKeyNBXCRLFFWUVSPA-UHFFFAOYSA-N
XLogP0.20
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.20
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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 75071587) is 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is COC1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is NBXCRLFFWUVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-13-5-2-9-3-6(10(11)12)8-7(9)14-4-5/h3,5H,2,4H2,1H3.
What are the key properties of 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 199.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 75071587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).