4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

C11H10FN5O2 — CID 137297289

IUPAC4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/C1c2ccccc2C1F)NO
InChIInChI=1S/C11H10FN5O2/c12-7-5-3-1-2-4-6(5)8(7)14-11(15-18)9-10(13)17-19-16-9/h1-4,7-8,18H,(H2,13,17)(H,14,15)
InChIKeyRNEFKYNDBNYMTR-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.14
Rot. Bonds2

About 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 137297289) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID137297289
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC Name4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/C1c2ccccc2C1F)NO
InChIInChI=1S/C11H10FN5O2/c12-7-5-3-1-2-4-6(5)8(7)14-11(15-18)9-10(13)17-19-16-9/h1-4,7-8,18H,(H2,13,17)(H,14,15)
InChIKeyRNEFKYNDBNYMTR-UHFFFAOYSA-N
XLogP1.14
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.14
H-Bond Donors ≤ 53
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'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide (CID 137297289) is 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/C1c2ccccc2C1F)NO.
What is the InChIKey of 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is RNEFKYNDBNYMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c12-7-5-3-1-2-4-6(5)8(7)14-11(15-18)9-10(13)17-19-16-9/h1-4,7-8,18H,(H2,13,17)(H,14,15).
What are the key properties of 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 263.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(8-fluoro-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 137297289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).