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

C5H8N6O3 — CID 45075997

IUPAC2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide
SMILESNC(=O)CON/C=N/c1nonc1N
InChIInChI=1S/C5H8N6O3/c6-3(12)1-13-9-2-8-5-4(7)10-14-11-5/h2H,1H2,(H2,6,12)(H2,7,10)(H,8,9,11)
InChIKeyWUOBTSLVJYFPPB-UHFFFAOYSA-N
MW200.16 g/mol
LogP-1.68
Rot. Bonds5

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

2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide (PubChem CID 45075997) has the molecular formula C5H8N6O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide
PubChem CID45075997
Molecular FormulaC5H8N6O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide
SMILESNC(=O)CON/C=N/c1nonc1N
InChIInChI=1S/C5H8N6O3/c6-3(12)1-13-9-2-8-5-4(7)10-14-11-5/h2H,1H2,(H2,6,12)(H2,7,10)(H,8,9,11)
InChIKeyWUOBTSLVJYFPPB-UHFFFAOYSA-N
XLogP-1.68
TPSA141.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
(Z)-3-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-hydroxy-4-phenylbut-3-en-2-one
CID 135795320
3-N-[(4-amino-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole-3,4-diamine
CID 2829094
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
4-amino-N'-(2-oxo-2-piperidin-1-ylethoxy)-1,2,5-oxadiazole-3-carboximidamide
CID 7657873
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4,6-diiodophenol
CID 5059865
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-methyltriazole-4-carboxamide
CID 3514609
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
2-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658268
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-tert-butylcarbamate
CID 5372680
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide (CID 45075997) is 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide is NC(=O)CON/C=N/c1nonc1N.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide?
The InChIKey is WUOBTSLVJYFPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O3/c6-3(12)1-13-9-2-8-5-4(7)10-14-11-5/h2H,1H2,(H2,6,12)(H2,7,10)(H,8,9,11).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide?
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide has a molecular weight of 200.16 g/mol, XLogP of -1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethylamino]oxyacetamide is sourced from PubChem (CID 45075997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).