N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide

C17H19FN6O3 — CID 137297268

About N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide

N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide (PubChem CID 137297268) has the molecular formula C17H19FN6O3 and a molecular weight of 374.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide
• PubChem CID: 137297268
• Molecular Formula: C17H19FN6O3
• Molecular Weight: 374.38 g/mol
• Exact Mass: 374.15
• IUPAC Name: N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide
• SMILES: O=C(CNc1nonc1/C(=N/C1CCc2ccc(F)cc21)NO)NC1CC1
• InChI: InChI=1S/C17H19FN6O3/c18-10-3-1-9-2-6-13(12(9)7-10)21-17(22-26)15-16(24-27-23-15)19-8-14(25)20-11-4-5-11/h1,3,7,11,13,26H,2,4-6,8H2,(H,19,24)(H,20,25)(H,21,22)
• InChIKey: IYTKHTWUXBDJBN-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 124.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.38
LogP ≤ 5	1.31
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 N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide?

The IUPAC name of N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide (CID 137297268) is N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide?

The canonical SMILES for N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide is O=C(CNc1nonc1/C(=N/C1CCc2ccc(F)cc21)NO)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide?

The InChIKey is IYTKHTWUXBDJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O3/c18-10-3-1-9-2-6-13(12(9)7-10)21-17(22-26)15-16(24-27-23-15)19-8-14(25)20-11-4-5-11/h1,3,7,11,13,26H,2,4-6,8H2,(H,19,24)(H,20,25)(H,21,22).

What are the key properties of N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide?

N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide has a molecular weight of 374.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[[4-[N'-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]acetamide is sourced from PubChem (CID 137297268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).