2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide

C5H8N6O3 — CID 5363180

IUPAC2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
SMILESNC(=O)CO/N=C(/N)c1nonc1N
InChIInChI=1S/C5H8N6O3/c6-2(12)1-13-10-4(7)3-5(8)11-14-9-3/h1H2,(H2,6,12)(H2,7,10)(H2,8,11)
InChIKeyMKYIEXCIKRHPIM-UHFFFAOYSA-N
MW200.16 g/mol
LogP-2.23
Rot. Bonds4

About 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide

2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide (PubChem CID 5363180) has the molecular formula C5H8N6O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
PubChem CID5363180
Molecular FormulaC5H8N6O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
SMILESNC(=O)CO/N=C(/N)c1nonc1N
InChIInChI=1S/C5H8N6O3/c6-2(12)1-13-10-4(7)3-5(8)11-14-9-3/h1H2,(H2,6,12)(H2,7,10)(H2,8,11)
InChIKeyMKYIEXCIKRHPIM-UHFFFAOYSA-N
XLogP-2.23
TPSA155.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
CID 7657873
2-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 12004874
[4-[3-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-2-oxopropyl]phenyl]-oxidoazanium;hydrate
CID 172946795
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
CID 3645854
4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2848662
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-tert-butylcarbamate
CID 5372680
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-fluorobenzoate
CID 6264956
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
4-amino-N'-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 5374202
2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
CID 136902125
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide
CID 45075997
4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide
CID 94844331

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide?
The IUPAC name of 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide (CID 5363180) is 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide.
What is the SMILES notation for 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide?
The canonical SMILES for 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide is NC(=O)CO/N=C(/N)c1nonc1N.
What is the InChIKey of 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide?
The InChIKey is MKYIEXCIKRHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O3/c6-2(12)1-13-10-4(7)3-5(8)11-14-9-3/h1H2,(H2,6,12)(H2,7,10)(H2,8,11).
What are the key properties of 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide?
2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide has a molecular weight of 200.16 g/mol, XLogP of -2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide is sourced from PubChem (CID 5363180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).