(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

C20H26FN3O3 — CID 124797764

About (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124797764) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
• PubChem CID: 124797764
• Molecular Formula: C20H26FN3O3
• Molecular Weight: 375.44 g/mol
• Exact Mass: 375.20
• IUPAC Name: (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
• SMILES: Cc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2ncccc2F)no1
• InChI: InChI=1S/C20H26FN3O3/c1-15-13-17(23-27-15)14-24-9-6-20(7-10-24)16(5-12-26-20)4-11-25-19-18(21)3-2-8-22-19/h2-3,8,13,16H,4-7,9-12,14H2,1H3/t16-/m0/s1
• InChIKey: JCURNJHLVSIJNP-INIZCTEOSA-N
• XLogP: 3.36
• TPSA: 60.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.44
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?

The IUPAC name of (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 124797764) is (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

What is the SMILES notation for (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?

The canonical SMILES for (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2ncccc2F)no1.

What is the InChIKey of (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?

The InChIKey is JCURNJHLVSIJNP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-15-13-17(23-27-15)14-24-9-6-20(7-10-24)16(5-12-26-20)4-11-25-19-18(21)3-2-8-22-19/h2-3,8,13,16H,4-7,9-12,14H2,1H3/t16-/m0/s1.

What are the key properties of (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?

(4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 375.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124797764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).