3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one

C7H7N3O5 — CID 154258459

IUPAC3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1N=C1CC=C([N+](=O)[O-])O1
InChIInChI=1S/C7H7N3O5/c11-7-9(3-4-14-7)8-5-1-2-6(15-5)10(12)13/h2H,1,3-4H2
InChIKeyXXXBVWMXUQJXTP-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.29
Rot. Bonds2

About 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one

3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one (PubChem CID 154258459) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one
PubChem CID154258459
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1N=C1CC=C([N+](=O)[O-])O1
InChIInChI=1S/C7H7N3O5/c11-7-9(3-4-14-7)8-5-1-2-6(15-5)10(12)13/h2H,1,3-4H2
InChIKeyXXXBVWMXUQJXTP-UHFFFAOYSA-N
XLogP0.29
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(1,2,4-triazol-4-yl)-3H-furan-2-imine
CID 172742817
3-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 21390831
3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 43350343
3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
3-nitroso-1,3-oxazinan-2-one
CID 13415149
3-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 141105157
5-[(2-oxo-1,3-oxazolidin-3-yl)iminomethyl]furan-2-carbaldehyde
CID 165352618
3-[2-[(6-nitro-3H-isoindol-5-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 158449423
3-(azepan-1-yl)-1,3-oxazolidin-2-one
CID 130355886
7-nitro-4,10-dioxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 134327645
4-methyl-8-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 67263378
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
CID 8647221

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one (CID 154258459) is 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one is O=C1OCCN1N=C1CC=C([N+](=O)[O-])O1.
What is the InChIKey of 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one?
The InChIKey is XXXBVWMXUQJXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c11-7-9(3-4-14-7)8-5-1-2-6(15-5)10(12)13/h2H,1,3-4H2.
What are the key properties of 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one?
3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one has a molecular weight of 213.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitro-3H-furan-2-ylidene)amino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154258459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).