2-nitro-1H-imidazole;1,3-oxazolidin-2-one

C6H8N4O4 — CID 172854121

IUPAC2-nitro-1H-imidazole;1,3-oxazolidin-2-one
SMILESO=C1NCCO1.O=[N+]([O-])c1ncc[nH]1
InChIInChI=1S/C3H3N3O2.C3H5NO2/c7-6(8)3-4-1-2-5-3;5-3-4-1-2-6-3/h1-2H,(H,4,5);1-2H2,(H,4,5)
InChIKeyYLSYPOKWVJYCCZ-UHFFFAOYSA-N
MW200.15 g/mol
LogP0.04
Rot. Bonds1

About 2-nitro-1H-imidazole;1,3-oxazolidin-2-one

2-nitro-1H-imidazole;1,3-oxazolidin-2-one (PubChem CID 172854121) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-nitro-1H-imidazole;1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-nitro-1H-imidazole;1,3-oxazolidin-2-one
PubChem CID172854121
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name2-nitro-1H-imidazole;1,3-oxazolidin-2-one
SMILESO=C1NCCO1.O=[N+]([O-])c1ncc[nH]1
InChIInChI=1S/C3H3N3O2.C3H5NO2/c7-6(8)3-4-1-2-5-3;5-3-4-1-2-6-3/h1-2H,(H,4,5);1-2H2,(H,4,5)
InChIKeyYLSYPOKWVJYCCZ-UHFFFAOYSA-N
XLogP0.04
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
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 2-nitro-1H-imidazole;1,3-oxazolidin-2-one?
The IUPAC name of 2-nitro-1H-imidazole;1,3-oxazolidin-2-one (CID 172854121) is 2-nitro-1H-imidazole;1,3-oxazolidin-2-one.
What is the SMILES notation for 2-nitro-1H-imidazole;1,3-oxazolidin-2-one?
The canonical SMILES for 2-nitro-1H-imidazole;1,3-oxazolidin-2-one is O=C1NCCO1.O=[N+]([O-])c1ncc[nH]1.
What is the InChIKey of 2-nitro-1H-imidazole;1,3-oxazolidin-2-one?
The InChIKey is YLSYPOKWVJYCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2.C3H5NO2/c7-6(8)3-4-1-2-5-3;5-3-4-1-2-6-3/h1-2H,(H,4,5);1-2H2,(H,4,5).
What are the key properties of 2-nitro-1H-imidazole;1,3-oxazolidin-2-one?
2-nitro-1H-imidazole;1,3-oxazolidin-2-one has a molecular weight of 200.15 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1H-imidazole;1,3-oxazolidin-2-one is sourced from PubChem (CID 172854121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).