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

C10H9ClFN5O2 — CID 588760

IUPAC4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NOCc1ccc(F)cc1Cl)c1nonc1N
InChIInChI=1S/C10H9ClFN5O2/c11-7-3-6(12)2-1-5(7)4-18-16-9(13)8-10(14)17-19-15-8/h1-3H,4H2,(H2,13,16)(H2,14,17)
InChIKeyOXUDHZBPXREHRO-UHFFFAOYSA-N
MW285.67 g/mol
LogP1.28
Rot. Bonds4

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

4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 588760) has the molecular formula C10H9ClFN5O2 and a molecular weight of 285.67 g/mol. Its IUPAC name is 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID588760
Molecular FormulaC10H9ClFN5O2
Molecular Weight285.67 g/mol
Exact Mass285.04
IUPAC Name4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NOCc1ccc(F)cc1Cl)c1nonc1N
InChIInChI=1S/C10H9ClFN5O2/c11-7-3-6(12)2-1-5(7)4-18-16-9(13)8-10(14)17-19-15-8/h1-3H,4H2,(H2,13,16)(H2,14,17)
InChIKeyOXUDHZBPXREHRO-UHFFFAOYSA-N
XLogP1.28
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 51.28
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (CID 588760) is 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is NC(=NOCc1ccc(F)cc1Cl)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is OXUDHZBPXREHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5O2/c11-7-3-6(12)2-1-5(7)4-18-16-9(13)8-10(14)17-19-15-8/h1-3H,4H2,(H2,13,16)(H2,14,17).
What are the key properties of 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 285.67 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 588760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).