[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone

C16H16FN3O4 — CID 133142243

About [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone

[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 133142243) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
• PubChem CID: 133142243
• Molecular Formula: C16H16FN3O4
• Molecular Weight: 333.32 g/mol
• Exact Mass: 333.11
• IUPAC Name: [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
• SMILES: O=C(c1cnoc1)N1CC2(CC(Oc3ncccc3F)CCO2)C1
• InChI: InChI=1S/C16H16FN3O4/c17-13-2-1-4-18-14(13)24-12-3-5-22-16(6-12)9-20(10-16)15(21)11-7-19-23-8-11/h1-2,4,7-8,12H,3,5-6,9-10H2
• InChIKey: DVQJAMQEMLVIQU-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.32
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone?

The IUPAC name of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone (CID 133142243) is [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone?

The canonical SMILES for [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone is O=C(c1cnoc1)N1CC2(CC(Oc3ncccc3F)CCO2)C1.

What is the InChIKey of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone?

The InChIKey is DVQJAMQEMLVIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-13-2-1-4-18-14(13)24-12-3-5-22-16(6-12)9-20(10-16)15(21)11-7-19-23-8-11/h1-2,4,7-8,12H,3,5-6,9-10H2.

What are the key properties of [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone?

[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 333.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 133142243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).