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

C9H9N5O2 — CID 555630

IUPAC4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/c1ccccc1)NO
InChIInChI=1S/C9H9N5O2/c10-8-7(13-16-14-8)9(12-15)11-6-4-2-1-3-5-6/h1-5,15H,(H2,10,14)(H,11,12)
InChIKeyBOACWWQRUZPMQY-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.71
Rot. Bonds2

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

4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 555630) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide
PubChem CID555630
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/c1ccccc1)NO
InChIInChI=1S/C9H9N5O2/c10-8-7(13-16-14-8)9(12-15)11-6-4-2-1-3-5-6/h1-5,15H,(H2,10,14)(H,11,12)
InChIKeyBOACWWQRUZPMQY-UHFFFAOYSA-N
XLogP0.71
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.71
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide (CID 555630) is 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/c1ccccc1)NO.
What is the InChIKey of 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is BOACWWQRUZPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-8-7(13-16-14-8)9(12-15)11-6-4-2-1-3-5-6/h1-5,15H,(H2,10,14)(H,11,12).
What are the key properties of 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 219.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hydroxy-N'-phenyl-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 555630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).