2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide

C11H10FN5O2 — CID 5367960

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
SMILESNc1nonc1CC(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C11H10FN5O2/c12-8-4-2-1-3-7(8)6-14-15-10(18)5-9-11(13)17-19-16-9/h1-4,6H,5H2,(H2,13,17)(H,15,18)/b14-6-
InChIKeyBVKBGQWLJSZLGO-NSIKDUERSA-N
MW263.23 g/mol
LogP0.48
Rot. Bonds4

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 5367960) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID5367960
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
SMILESNc1nonc1CC(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C11H10FN5O2/c12-8-4-2-1-3-7(8)6-14-15-10(18)5-9-11(13)17-19-16-9/h1-4,6H,5H2,(H2,13,17)(H,15,18)/b14-6-
InChIKeyBVKBGQWLJSZLGO-NSIKDUERSA-N
XLogP0.48
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6166039
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N-[(E)-(2-fluorophenyl)methylideneamino]triazole-4-carboxamide
CID 126457037
N-[(2-fluorophenyl)methylideneamino]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 139238044
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-(4-bromophenyl)-N'-[(2-fluorophenyl)methylideneamino]butanediamide
CID 3450603
4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5368165
N'-[(2-fluorophenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 4619789

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide (CID 5367960) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is Nc1nonc1CC(=O)N/N=C\c1ccccc1F.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is BVKBGQWLJSZLGO-NSIKDUERSA-N. The full InChI is InChI=1S/C11H10FN5O2/c12-8-4-2-1-3-7(8)6-14-15-10(18)5-9-11(13)17-19-16-9/h1-4,6H,5H2,(H2,13,17)(H,15,18)/b14-6-.
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 263.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5367960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).