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

C10H10FN5O2 — CID 6257308

IUPAC4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N/OCc1cccc(F)c1)c1nonc1N
InChIInChI=1S/C10H10FN5O2/c11-7-3-1-2-6(4-7)5-17-15-9(12)8-10(13)16-18-14-8/h1-4H,5H2,(H2,12,15)(H2,13,16)
InChIKeyGOWNFTXNGKFDHP-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.63
Rot. Bonds4

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

4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 6257308) has the molecular formula C10H10FN5O2 and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID6257308
Molecular FormulaC10H10FN5O2
Molecular Weight251.22 g/mol
Exact Mass251.08
IUPAC Name4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N/OCc1cccc(F)c1)c1nonc1N
InChIInChI=1S/C10H10FN5O2/c11-7-3-1-2-6(4-7)5-17-15-9(12)8-10(13)16-18-14-8/h1-4H,5H2,(H2,12,15)(H2,13,16)
InChIKeyGOWNFTXNGKFDHP-UHFFFAOYSA-N
XLogP0.63
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.63
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'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (CID 6257308) is 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is N/C(=N/OCc1cccc(F)c1)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is GOWNFTXNGKFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2/c11-7-3-1-2-6(4-7)5-17-15-9(12)8-10(13)16-18-14-8/h1-4H,5H2,(H2,12,15)(H2,13,16).
What are the key properties of 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 251.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 6257308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).