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

C10H10N6O2 — CID 2841390

IUPAC4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NN=Cc1ccc(O)cc1)c1nonc1N
InChIInChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-6-1-3-7(17)4-2-6/h1-5,17H,(H2,11,14)(H2,12,16)
InChIKeyCWLYKZIFHIAKNF-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.10
Rot. Bonds3

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

4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 2841390) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID2841390
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NN=Cc1ccc(O)cc1)c1nonc1N
InChIInChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-6-1-3-7(17)4-2-6/h1-5,17H,(H2,11,14)(H2,12,16)
InChIKeyCWLYKZIFHIAKNF-UHFFFAOYSA-N
XLogP0.10
TPSA135.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (CID 2841390) is 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is NC(=NN=Cc1ccc(O)cc1)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is CWLYKZIFHIAKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-6-1-3-7(17)4-2-6/h1-5,17H,(H2,11,14)(H2,12,16).
What are the key properties of 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 246.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 2841390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).