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

C8H15N5O2 — CID 6374861

IUPAC4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESCCN(CC)/C(=N\OC)c1nonc1N
InChIInChI=1S/C8H15N5O2/c1-4-13(5-2)8(12-14-3)6-7(9)11-15-10-6/h4-5H2,1-3H3,(H2,9,11)/b12-8-
InChIKeyBFLBSQLBYPDKJE-WQLSENKSSA-N
MW213.24 g/mol
LogP0.30
Rot. Bonds4

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

4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 6374861) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID6374861
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESCCN(CC)/C(=N\OC)c1nonc1N
InChIInChI=1S/C8H15N5O2/c1-4-13(5-2)8(12-14-3)6-7(9)11-15-10-6/h4-5H2,1-3H3,(H2,9,11)/b12-8-
InChIKeyBFLBSQLBYPDKJE-WQLSENKSSA-N
XLogP0.30
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.30
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'}

Analyze 4-amino-N,N-diethyl-N'-methoxy-1,2,5-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide (CID 6374861) is 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide is CCN(CC)/C(=N\OC)c1nonc1N.
What is the InChIKey of 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is BFLBSQLBYPDKJE-WQLSENKSSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-4-13(5-2)8(12-14-3)6-7(9)11-15-10-6/h4-5H2,1-3H3,(H2,9,11)/b12-8-.
What are the key properties of 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 213.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-N'-methoxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 6374861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).