7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane

C20H26FN3O — CID 155984117

About 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane

7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane (PubChem CID 155984117) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
• PubChem CID: 155984117
• Molecular Formula: C20H26FN3O
• Molecular Weight: 343.45 g/mol
• Exact Mass: 343.21
• IUPAC Name: 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
• SMILES: CC(C)n1ccnc1CN1CC2(COC(Cc3cccc(F)c3)C2)C1
• InChI: InChI=1S/C20H26FN3O/c1-15(2)24-7-6-22-19(24)11-23-12-20(13-23)10-18(25-14-20)9-16-4-3-5-17(21)8-16/h3-8,15,18H,9-14H2,1-2H3
• InChIKey: RIVYPVLTLOWJBA-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 30.29 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.45
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?

The IUPAC name of 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane (CID 155984117) is 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane.

What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?

The canonical SMILES for 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane is CC(C)n1ccnc1CN1CC2(COC(Cc3cccc(F)c3)C2)C1.

What is the InChIKey of 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?

The InChIKey is RIVYPVLTLOWJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15(2)24-7-6-22-19(24)11-23-12-20(13-23)10-18(25-14-20)9-16-4-3-5-17(21)8-16/h3-8,15,18H,9-14H2,1-2H3.

What are the key properties of 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?

7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 343.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 155984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).