8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane

C15H17FN4O2S — CID 131660991

About 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane

8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 131660991) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
• PubChem CID: 131660991
• Molecular Formula: C15H17FN4O2S
• Molecular Weight: 336.39 g/mol
• Exact Mass: 336.11
• IUPAC Name: 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
• SMILES: Cc1nnc(N2CC3(C2)OCCC3COc2ncccc2F)s1
• InChI: InChI=1S/C15H17FN4O2S/c1-10-18-19-14(23-10)20-8-15(9-20)11(4-6-22-15)7-21-13-12(16)3-2-5-17-13/h2-3,5,11H,4,6-9H2,1H3
• InChIKey: BDCGNLZVZFWAPW-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 60.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.39
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane?

The IUPAC name of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane (CID 131660991) is 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane.

What is the SMILES notation for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane?

The canonical SMILES for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane is Cc1nnc(N2CC3(C2)OCCC3COc2ncccc2F)s1.

What is the InChIKey of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane?

The InChIKey is BDCGNLZVZFWAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-10-18-19-14(23-10)20-8-15(9-20)11(4-6-22-15)7-21-13-12(16)3-2-5-17-13/h2-3,5,11H,4,6-9H2,1H3.

What are the key properties of 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane?

8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 336.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 131660991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).