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

C11H12N6O2 — CID 5183945

IUPAC4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCC(=NN=C(N)c1nonc1N)c1ccccc1O
InChIInChI=1S/C11H12N6O2/c1-6(7-4-2-3-5-8(7)18)14-15-10(12)9-11(13)17-19-16-9/h2-5,18H,1H3,(H2,12,15)(H2,13,17)
InChIKeyJQZVYSMRVBVBNN-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.49
Rot. Bonds3

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

4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 5183945) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID5183945
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCC(=NN=C(N)c1nonc1N)c1ccccc1O
InChIInChI=1S/C11H12N6O2/c1-6(7-4-2-3-5-8(7)18)14-15-10(12)9-11(13)17-19-16-9/h2-5,18H,1H3,(H2,12,15)(H2,13,17)
InChIKeyJQZVYSMRVBVBNN-UHFFFAOYSA-N
XLogP0.49
TPSA135.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide (CID 5183945) is 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide is CC(=NN=C(N)c1nonc1N)c1ccccc1O.
What is the InChIKey of 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is JQZVYSMRVBVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-6(7-4-2-3-5-8(7)18)14-15-10(12)9-11(13)17-19-16-9/h2-5,18H,1H3,(H2,12,15)(H2,13,17).
What are the key properties of 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 260.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[1-(2-hydroxyphenyl)ethylideneamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 5183945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).