4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C9H7Cl2N5O2 — CID 135510786

IUPAC4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/c1cc(Cl)cc(Cl)c1)NO
InChIInChI=1S/C9H7Cl2N5O2/c10-4-1-5(11)3-6(2-4)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
InChIKeyMAMOXKQKRUDXBH-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.02
Rot. Bonds2

About 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 135510786) has the molecular formula C9H7Cl2N5O2 and a molecular weight of 288.09 g/mol. Its IUPAC name is 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID135510786
Molecular FormulaC9H7Cl2N5O2
Molecular Weight288.09 g/mol
Exact Mass287.00
IUPAC Name4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/c1cc(Cl)cc(Cl)c1)NO
InChIInChI=1S/C9H7Cl2N5O2/c10-4-1-5(11)3-6(2-4)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
InChIKeyMAMOXKQKRUDXBH-UHFFFAOYSA-N
XLogP2.02
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.02
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'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 135510786) is 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/c1cc(Cl)cc(Cl)c1)NO.
What is the InChIKey of 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is MAMOXKQKRUDXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O2/c10-4-1-5(11)3-6(2-4)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14).
What are the key properties of 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 288.09 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(3,5-dichlorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 135510786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).