5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid

C8H5N3O6 — CID 154119758

IUPAC5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)O
InChIInChI=1S/C8H5N3O6/c9-7-5(8(12)13)6(10-17-7)3-1-2-4(16-3)11(14)15/h1-2H,9H2,(H,12,13)
InChIKeyLZAFEDLZPLMFLW-UHFFFAOYSA-N
MW239.14 g/mol
LogP1.12
Rot. Bonds3

About 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid

5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 154119758) has the molecular formula C8H5N3O6 and a molecular weight of 239.14 g/mol. Its IUPAC name is 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID154119758
Molecular FormulaC8H5N3O6
Molecular Weight239.14 g/mol
Exact Mass239.02
IUPAC Name5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)O
InChIInChI=1S/C8H5N3O6/c9-7-5(8(12)13)6(10-17-7)3-1-2-4(16-3)11(14)15/h1-2H,9H2,(H,12,13)
InChIKeyLZAFEDLZPLMFLW-UHFFFAOYSA-N
XLogP1.12
TPSA145.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
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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Related Compounds

4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
CID 43560884
5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
CID 12007693
N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide
CID 88806523
5-methyl-2-(5-nitrofuran-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62235043
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
3-amino-5-(5-nitrofuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83037042
5-amino-3-(1H-imidazol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 136927079
4-(2-methylpropyl)-2-(5-nitrofuran-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374662
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile
CID 641460
1-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354502
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid (CID 154119758) is 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid is Nc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)O.
What is the InChIKey of 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is LZAFEDLZPLMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O6/c9-7-5(8(12)13)6(10-17-7)3-1-2-4(16-3)11(14)15/h1-2H,9H2,(H,12,13).
What are the key properties of 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid?
5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 239.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 154119758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).