2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane

C21H21FN4O4S — CID 91912533

About 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane

2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 91912533) has the molecular formula C21H21FN4O4S and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane
• PubChem CID: 91912533
• Molecular Formula: C21H21FN4O4S
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.13
• IUPAC Name: 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane
• SMILES: O=S(=O)(c1cccc(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
• InChI: InChI=1S/C21H21FN4O4S/c22-16-2-1-3-17(12-16)31(27,28)26-13-18(21(14-26)6-10-29-11-7-21)20-25-24-19(30-20)15-4-8-23-9-5-15/h1-5,8-9,12,18H,6-7,10-11,13-14H2
• InChIKey: SNOBZBOXKVZESP-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 98.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?

The IUPAC name of 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane (CID 91912533) is 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane.

What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?

The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane is O=S(=O)(c1cccc(F)c1)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.

What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?

The InChIKey is SNOBZBOXKVZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4S/c22-16-2-1-3-17(12-16)31(27,28)26-13-18(21(14-26)6-10-29-11-7-21)20-25-24-19(30-20)15-4-8-23-9-5-15/h1-5,8-9,12,18H,6-7,10-11,13-14H2.

What are the key properties of 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane?

2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 444.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)sulfonyl-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 91912533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).