(5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C16H14FN3O4 — CID 136564951

About (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

(5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 136564951) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
• PubChem CID: 136564951
• Molecular Formula: C16H14FN3O4
• Molecular Weight: 331.30 g/mol
• Exact Mass: 331.10
• IUPAC Name: (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
• SMILES: Cc1nnc(C2COCCN2C(=O)c2cc(F)cc3ccoc23)o1
• InChI: InChI=1S/C16H14FN3O4/c1-9-18-19-15(24-9)13-8-22-5-3-20(13)16(21)12-7-11(17)6-10-2-4-23-14(10)12/h2,4,6-7,13H,3,5,8H2,1H3
• InChIKey: JBHKLPDDIUGINQ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 81.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.30
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The IUPAC name of (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 136564951) is (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

What is the SMILES notation for (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The canonical SMILES for (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is Cc1nnc(C2COCCN2C(=O)c2cc(F)cc3ccoc23)o1.

What is the InChIKey of (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

The InChIKey is JBHKLPDDIUGINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-9-18-19-15(24-9)13-8-22-5-3-20(13)16(21)12-7-11(17)6-10-2-4-23-14(10)12/h2,4,6-7,13H,3,5,8H2,1H3.

What are the key properties of (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?

(5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 331.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-1-benzofuran-7-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 136564951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).