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

C8H11N3O4 — CID 77395808

IUPAC6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESCCOC1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C8H11N3O4/c1-2-14-6-3-10-4-7(11(12)13)9-8(10)15-5-6/h4,6H,2-3,5H2,1H3
InChIKeyRDSISCIILLAZEN-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.59
Rot. Bonds3

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

6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 77395808) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID77395808
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESCCOC1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C8H11N3O4/c1-2-14-6-3-10-4-7(11(12)13)9-8(10)15-5-6/h4,6H,2-3,5H2,1H3
InChIKeyRDSISCIILLAZEN-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
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-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 77395808) is 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is CCOC1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is RDSISCIILLAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-2-14-6-3-10-4-7(11(12)13)9-8(10)15-5-6/h4,6H,2-3,5H2,1H3.
What are the key properties of 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 213.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 77395808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).