4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide

C9H17N5O2 — CID 94844331

IUPAC4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide
SMILESCCO/N=C(\c1nonc1N)N(CC)CC
InChIInChI=1S/C9H17N5O2/c1-4-14(5-2)9(13-15-6-3)7-8(10)12-16-11-7/h4-6H2,1-3H3,(H2,10,12)/b13-9+
InChIKeyUZWDTUGGWRHLQZ-UKTHLTGXSA-N
MW227.27 g/mol
LogP0.69
Rot. Bonds5

About 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 94844331) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide
PubChem CID94844331
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide
SMILESCCO/N=C(\c1nonc1N)N(CC)CC
InChIInChI=1S/C9H17N5O2/c1-4-14(5-2)9(13-15-6-3)7-8(10)12-16-11-7/h4-6H2,1-3H3,(H2,10,12)/b13-9+
InChIKeyUZWDTUGGWRHLQZ-UKTHLTGXSA-N
XLogP0.69
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide
CID 6374861
4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
CID 5340009
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
CID 62688558
2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
CID 62687260
4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2848662
4-amino-N'-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 5374202
4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103665
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 6036961
4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 114942314

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide (CID 94844331) is 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide is CCO/N=C(\c1nonc1N)N(CC)CC.
What is the InChIKey of 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is UZWDTUGGWRHLQZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-4-14(5-2)9(13-15-6-3)7-8(10)12-16-11-7/h4-6H2,1-3H3,(H2,10,12)/b13-9+.
What are the key properties of 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 227.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-ethoxy-N,N-diethyl-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 94844331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).