5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C17H16F3N3O3 — CID 138993980

About 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 138993980) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

• Compound Name: 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
• PubChem CID: 138993980
• Molecular Formula: C17H16F3N3O3
• Molecular Weight: 367.33 g/mol
• Exact Mass: 367.11
• IUPAC Name: 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
• SMILES: O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCOC2(CCC2)C1
• InChI: InChI=1S/C17H16F3N3O3/c18-17(19,20)15-21-13(22-26-15)11-3-1-4-12(9-11)14(24)23-7-8-25-16(10-23)5-2-6-16/h1,3-4,9H,2,5-8,10H2
• InChIKey: CERVXQNBRZWYSM-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.33
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?

The IUPAC name of 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 138993980) is 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

What is the SMILES notation for 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?

The canonical SMILES for 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCOC2(CCC2)C1.

What is the InChIKey of 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?

The InChIKey is CERVXQNBRZWYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)15-21-13(22-26-15)11-3-1-4-12(9-11)14(24)23-7-8-25-16(10-23)5-2-6-16/h1,3-4,9H,2,5-8,10H2.

What are the key properties of 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?

5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 367.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 138993980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).