5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide

C5H8N4O2 — CID 135489940

IUPAC5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide
SMILESCCc1nc(/C(N)=N\O)no1
InChIInChI=1S/C5H8N4O2/c1-2-3-7-5(9-11-3)4(6)8-10/h10H,2H2,1H3,(H2,6,8)
InChIKeyVLGPAIFKLCTJBX-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.27
Rot. Bonds2

About 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide

5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide (PubChem CID 135489940) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide
PubChem CID135489940
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide
SMILESCCc1nc(/C(N)=N\O)no1
InChIInChI=1S/C5H8N4O2/c1-2-3-7-5(9-11-3)4(6)8-10/h10H,2H2,1H3,(H2,6,8)
InChIKeyVLGPAIFKLCTJBX-UHFFFAOYSA-N
XLogP-0.27
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl] carbamate
CID 69476584
4,6-bis(dipropylamino)-N'-hydroxy-1,3,5-triazine-2-carboximidamide
CID 135490745
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790253
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 138623161
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790082
5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166
ethyl 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379501

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide?
The IUPAC name of 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide (CID 135489940) is 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide.
What is the SMILES notation for 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide?
The canonical SMILES for 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide is CCc1nc(/C(N)=N\O)no1.
What is the InChIKey of 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide?
The InChIKey is VLGPAIFKLCTJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-3-7-5(9-11-3)4(6)8-10/h10H,2H2,1H3,(H2,6,8).
What are the key properties of 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide?
5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide has a molecular weight of 156.15 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N'-hydroxy-1,2,4-oxadiazole-3-carboximidamide is sourced from PubChem (CID 135489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).