2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide

C13H13FN6O3 — CID 137297243

About 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide

2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 137297243) has the molecular formula C13H13FN6O3 and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
• PubChem CID: 137297243
• Molecular Formula: C13H13FN6O3
• Molecular Weight: 320.28 g/mol
• Exact Mass: 320.10
• IUPAC Name: 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
• SMILES: NC(=O)C(N)c1nonc1/C(=N/[C@H]1Cc2ccc(F)cc21)NO
• InChI: InChI=1S/C13H13FN6O3/c14-6-2-1-5-3-8(7(5)4-6)17-13(18-22)11-10(19-23-20-11)9(15)12(16)21/h1-2,4,8-9,22H,3,15H2,(H2,16,21)(H,17,18)/t8-,9?/m0/s1
• InChIKey: FWDORVHLMXELLO-IENPIDJESA-N
• XLogP: -0.28
• TPSA: 152.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.28
LogP ≤ 5	-0.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?

The IUPAC name of 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide (CID 137297243) is 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide.

What is the SMILES notation for 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?

The canonical SMILES for 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide is NC(=O)C(N)c1nonc1/C(=N/[C@H]1Cc2ccc(F)cc21)NO.

What is the InChIKey of 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?

The InChIKey is FWDORVHLMXELLO-IENPIDJESA-N. The full InChI is InChI=1S/C13H13FN6O3/c14-6-2-1-5-3-8(7(5)4-6)17-13(18-22)11-10(19-23-20-11)9(15)12(16)21/h1-2,4,8-9,22H,3,15H2,(H2,16,21)(H,17,18)/t8-,9?/m0/s1.

What are the key properties of 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?

2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 320.28 g/mol, XLogP of -0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 137297243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).