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

C10H9FN6O — CID 4068250

IUPAC4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NN=Cc1ccc(F)cc1)c1nonc1N
InChIInChI=1S/C10H9FN6O/c11-7-3-1-6(2-4-7)5-14-15-9(12)8-10(13)17-18-16-8/h1-5H,(H2,12,15)(H2,13,17)
InChIKeyYFDVGDKMMRCVTK-UHFFFAOYSA-N
MW248.22 g/mol
LogP0.53
Rot. Bonds3

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

4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 4068250) has the molecular formula C10H9FN6O and a molecular weight of 248.22 g/mol. Its IUPAC name is 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID4068250
Molecular FormulaC10H9FN6O
Molecular Weight248.22 g/mol
Exact Mass248.08
IUPAC Name4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NN=Cc1ccc(F)cc1)c1nonc1N
InChIInChI=1S/C10H9FN6O/c11-7-3-1-6(2-4-7)5-14-15-9(12)8-10(13)17-18-16-8/h1-5H,(H2,12,15)(H2,13,17)
InChIKeyYFDVGDKMMRCVTK-UHFFFAOYSA-N
XLogP0.53
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
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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Related Compounds

4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390
4-amino-N'-[(4-ethylphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 43834602
4-amino-N'-[(3,4-dihydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135601214
4-amino-N'-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 6036961
4-amino-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 6850962
4-amino-N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 11836695
4-amino-N'-[(E)-(5-bromofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 131666085
4-amino-N'-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 46500092
4-amino-N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 136859038
4-amino-N'-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 134080594
4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 7788258
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-fluorobenzoate
CID 6264956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (CID 4068250) is 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is NC(=NN=Cc1ccc(F)cc1)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is YFDVGDKMMRCVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN6O/c11-7-3-1-6(2-4-7)5-14-15-9(12)8-10(13)17-18-16-8/h1-5H,(H2,12,15)(H2,13,17).
What are the key properties of 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 248.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 4068250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).