2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol

C6H7N3O4 — CID 5280120

IUPAC2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
SMILESO=[N+]([O-])c1cn2c(n1)OCC(O)C2
InChIInChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2
InChIKeyHMFPMGBWSFUHEN-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.46
Rot. Bonds1

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

2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol (PubChem CID 5280120) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol.

Molecular Properties

Compound Name2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
PubChem CID5280120
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
SMILESO=[N+]([O-])c1cn2c(n1)OCC(O)C2
InChIInChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2
InChIKeyHMFPMGBWSFUHEN-UHFFFAOYSA-N
XLogP-0.46
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.46
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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Frequently Asked Questions

What is the IUPAC name of 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol?
The IUPAC name of 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol (CID 5280120) is 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol.
What is the SMILES notation for 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol?
The canonical SMILES for 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol is O=[N+]([O-])c1cn2c(n1)OCC(O)C2.
What is the InChIKey of 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol?
The InChIKey is HMFPMGBWSFUHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2.
What are the key properties of 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol?
2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol has a molecular weight of 185.14 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol is sourced from PubChem (CID 5280120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).