2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate

C6H11N5O8 — CID 12034700

IUPAC2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate
SMILESO=[N+]([O-])OCCN(CC1CN([N+](=O)[O-])CO1)[N+](=O)[O-]
InChIInChI=1S/C6H11N5O8/c12-9(13)7(1-2-19-11(16)17)3-6-4-8(5-18-6)10(14)15/h6H,1-5H2
InChIKeyUFNYJILFMYZNCJ-UHFFFAOYSA-N
MW281.18 g/mol
LogP-1.46
Rot. Bonds8

About 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate

2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate (PubChem CID 12034700) has the molecular formula C6H11N5O8 and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate.

Molecular Properties

Compound Name2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate
PubChem CID12034700
Molecular FormulaC6H11N5O8
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate
SMILESO=[N+]([O-])OCCN(CC1CN([N+](=O)[O-])CO1)[N+](=O)[O-]
InChIInChI=1S/C6H11N5O8/c12-9(13)7(1-2-19-11(16)17)3-6-4-8(5-18-6)10(14)15/h6H,1-5H2
InChIKeyUFNYJILFMYZNCJ-UHFFFAOYSA-N
XLogP-1.46
TPSA154.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate?
The IUPAC name of 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate (CID 12034700) is 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate.
What is the SMILES notation for 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate?
The canonical SMILES for 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate is O=[N+]([O-])OCCN(CC1CN([N+](=O)[O-])CO1)[N+](=O)[O-].
What is the InChIKey of 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate?
The InChIKey is UFNYJILFMYZNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O8/c12-9(13)7(1-2-19-11(16)17)3-6-4-8(5-18-6)10(14)15/h6H,1-5H2.
What are the key properties of 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate?
2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate has a molecular weight of 281.18 g/mol, XLogP of -1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[nitro-[(3-nitro-1,3-oxazolidin-5-yl)methyl]amino]ethyl nitrate is sourced from PubChem (CID 12034700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).