1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C12H12FN3O2 — CID 106399125

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106399125) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
• PubChem CID: 106399125
• Molecular Formula: C12H12FN3O2
• Molecular Weight: 249.24 g/mol
• Exact Mass: 249.09
• IUPAC Name: 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
• SMILES: Fc1ccc2c(c1)CC(CNCc1ncon1)O2
• InChI: InChI=1S/C12H12FN3O2/c13-9-1-2-11-8(3-9)4-10(18-11)5-14-6-12-15-7-17-16-12/h1-3,7,10,14H,4-6H2
• InChIKey: JXKNTJYKXZBHCH-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 60.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.24
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?

The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106399125) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?

The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is Fc1ccc2c(c1)CC(CNCc1ncon1)O2.

What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?

The InChIKey is JXKNTJYKXZBHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-9-1-2-11-8(3-9)4-10(18-11)5-14-6-12-15-7-17-16-12/h1-3,7,10,14H,4-6H2.

What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 249.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106399125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).