2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C11H15N3O5 — CID 25209678

IUPAC2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cc2n(n1)CC(OC1CCCCO1)CO2
InChIInChI=1S/C11H15N3O5/c15-14(16)9-5-10-13(12-9)6-8(7-18-10)19-11-3-1-2-4-17-11/h5,8,11H,1-4,6-7H2
InChIKeyIBZATZAESUVEJC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.10
Rot. Bonds3

About 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 25209678) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID25209678
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cc2n(n1)CC(OC1CCCCO1)CO2
InChIInChI=1S/C11H15N3O5/c15-14(16)9-5-10-13(12-9)6-8(7-18-10)19-11-3-1-2-4-17-11/h5,8,11H,1-4,6-7H2
InChIKeyIBZATZAESUVEJC-UHFFFAOYSA-N
XLogP1.10
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 25209678) is 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is O=[N+]([O-])c1cc2n(n1)CC(OC1CCCCO1)CO2.
What is the InChIKey of 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is IBZATZAESUVEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-14(16)9-5-10-13(12-9)6-8(7-18-10)19-11-3-1-2-4-17-11/h5,8,11H,1-4,6-7H2.
What are the key properties of 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 269.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-(oxan-2-yloxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 25209678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).