4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

C11H10N6O2 — CID 2893154

IUPAC4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESN#Cc1ccccc1CON=C(N)c1nonc1N
InChIInChI=1S/C11H10N6O2/c12-5-7-3-1-2-4-8(7)6-18-16-10(13)9-11(14)17-19-15-9/h1-4H,6H2,(H2,13,16)(H2,14,17)
InChIKeyRNTSQXIVWAHBOX-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.36
Rot. Bonds4

About 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 2893154) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID2893154
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESN#Cc1ccccc1CON=C(N)c1nonc1N
InChIInChI=1S/C11H10N6O2/c12-5-7-3-1-2-4-8(7)6-18-16-10(13)9-11(14)17-19-15-9/h1-4H,6H2,(H2,13,16)(H2,14,17)
InChIKeyRNTSQXIVWAHBOX-UHFFFAOYSA-N
XLogP0.36
TPSA136.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (CID 2893154) is 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is N#Cc1ccccc1CON=C(N)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is RNTSQXIVWAHBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c12-5-7-3-1-2-4-8(7)6-18-16-10(13)9-11(14)17-19-15-9/h1-4H,6H2,(H2,13,16)(H2,14,17).
What are the key properties of 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 258.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 2893154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).