1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol

C17H24FN3O2 — CID 111336146

About 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol

1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111336146) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol
• PubChem CID: 111336146
• Molecular Formula: C17H24FN3O2
• Molecular Weight: 321.40 g/mol
• Exact Mass: 321.19
• IUPAC Name: 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol
• SMILES: Cc1ccc(-c2noc(CCCN(C)CC(C)(C)O)n2)cc1F
• InChI: InChI=1S/C17H24FN3O2/c1-12-7-8-13(10-14(12)18)16-19-15(23-20-16)6-5-9-21(4)11-17(2,3)22/h7-8,10,22H,5-6,9,11H2,1-4H3
• InChIKey: XWVJJMKQGLOGDN-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.40
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol?

The IUPAC name of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol (CID 111336146) is 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol?

The canonical SMILES for 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol is Cc1ccc(-c2noc(CCCN(C)CC(C)(C)O)n2)cc1F.

What is the InChIKey of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol?

The InChIKey is XWVJJMKQGLOGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12-7-8-13(10-14(12)18)16-19-15(23-20-16)6-5-9-21(4)11-17(2,3)22/h7-8,10,22H,5-6,9,11H2,1-4H3.

What are the key properties of 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol?

1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 321.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).