3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C16H20FN5O — CID 66724695

About 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 66724695) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

• Compound Name: 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
• PubChem CID: 66724695
• Molecular Formula: C16H20FN5O
• Molecular Weight: 317.37 g/mol
• Exact Mass: 317.17
• IUPAC Name: 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
• SMILES: NC1OC2(CN3CCC2CC3)CN1c1n[nH]c2cc(F)ccc12
• InChI: InChI=1S/C16H20FN5O/c17-11-1-2-12-13(7-11)19-20-14(12)22-9-16(23-15(22)18)8-21-5-3-10(16)4-6-21/h1-2,7,10,15H,3-6,8-9,18H2,(H,19,20)
• InChIKey: GHCMNRBDVUMBGG-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 70.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.37
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?

The IUPAC name of 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 66724695) is 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

What is the SMILES notation for 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?

The canonical SMILES for 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is NC1OC2(CN3CCC2CC3)CN1c1n[nH]c2cc(F)ccc12.

What is the InChIKey of 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?

The InChIKey is GHCMNRBDVUMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-11-1-2-12-13(7-11)19-20-14(12)22-9-16(23-15(22)18)8-21-5-3-10(16)4-6-21/h1-2,7,10,15H,3-6,8-9,18H2,(H,19,20).

What are the key properties of 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?

3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 317.37 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 66724695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).