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

C10H10FN5O — CID 70642564

IUPAC4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\Cc1ccccc1F)c1nonc1N
InChIInChI=1S/C10H10FN5O/c11-7-4-2-1-3-6(7)5-14-9(12)8-10(13)16-17-15-8/h1-4H,5H2,(H2,12,14)(H2,13,16)
InChIKeyHDRGXBQFRZACQD-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.70
Rot. Bonds3

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

4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 70642564) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID70642564
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\Cc1ccccc1F)c1nonc1N
InChIInChI=1S/C10H10FN5O/c11-7-4-2-1-3-6(7)5-14-9(12)8-10(13)16-17-15-8/h1-4H,5H2,(H2,12,14)(H2,13,16)
InChIKeyHDRGXBQFRZACQD-UHFFFAOYSA-N
XLogP0.70
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide (CID 70642564) is 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\Cc1ccccc1F)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is HDRGXBQFRZACQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c11-7-4-2-1-3-6(7)5-14-9(12)8-10(13)16-17-15-8/h1-4H,5H2,(H2,12,14)(H2,13,16).
What are the key properties of 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 235.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(2-fluorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 70642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).