7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

C5H5N3O3 — CID 122678097

IUPAC7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cnn2c1OCC2
InChIInChI=1S/C5H5N3O3/c9-8(10)4-3-6-7-1-2-11-5(4)7/h3H,1-2H2
InChIKeyLHSYJDASXCGFHY-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.18
Rot. Bonds1

About 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (PubChem CID 122678097) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
PubChem CID122678097
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cnn2c1OCC2
InChIInChI=1S/C5H5N3O3/c9-8(10)4-3-6-7-1-2-11-5(4)7/h3H,1-2H2
InChIKeyLHSYJDASXCGFHY-UHFFFAOYSA-N
XLogP0.18
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (CID 122678097) is 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is O=[N+]([O-])c1cnn2c1OCC2.
What is the InChIKey of 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The InChIKey is LHSYJDASXCGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c9-8(10)4-3-6-7-1-2-11-5(4)7/h3H,1-2H2.
What are the key properties of 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole has a molecular weight of 155.11 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 122678097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).