N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide

C10H8FN5O3 — CID 21216040

IUPACN-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide
SMILES[H]/N=C(\c1nonc1N)N(O)C(=O)c1ccccc1F
InChIInChI=1S/C10H8FN5O3/c11-6-4-2-1-3-5(6)10(17)16(18)9(13)7-8(12)15-19-14-7/h1-4,13,18H,(H2,12,15)/b13-9+
InChIKeyLZRRBIDKFVGHGH-UKTHLTGXSA-N
MW265.20 g/mol
LogP0.65
Rot. Bonds2

About N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide

N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide (PubChem CID 21216040) has the molecular formula C10H8FN5O3 and a molecular weight of 265.20 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide
PubChem CID21216040
Molecular FormulaC10H8FN5O3
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC NameN-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide
SMILES[H]/N=C(\c1nonc1N)N(O)C(=O)c1ccccc1F
InChIInChI=1S/C10H8FN5O3/c11-6-4-2-1-3-5(6)10(17)16(18)9(13)7-8(12)15-19-14-7/h1-4,13,18H,(H2,12,15)/b13-9+
InChIKeyLZRRBIDKFVGHGH-UKTHLTGXSA-N
XLogP0.65
TPSA129.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide (CID 21216040) is N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide is [H]/N=C(\c1nonc1N)N(O)C(=O)c1ccccc1F.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide?
The InChIKey is LZRRBIDKFVGHGH-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H8FN5O3/c11-6-4-2-1-3-5(6)10(17)16(18)9(13)7-8(12)15-19-14-7/h1-4,13,18H,(H2,12,15)/b13-9+.
What are the key properties of N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide?
N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide has a molecular weight of 265.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazole-3-carboximidoyl)-2-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 21216040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).