1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea

C17H17FN4O2S — CID 126780744

About 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea

1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea (PubChem CID 126780744) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea.

Molecular Properties

• Compound Name: 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea
• PubChem CID: 126780744
• Molecular Formula: C17H17FN4O2S
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.11
• IUPAC Name: 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea
• SMILES: Cc1nc(C2(NC(=O)NCc3cc4cc(F)ccc4s3)CCC2)no1
• InChI: InChI=1S/C17H17FN4O2S/c1-10-20-15(22-24-10)17(5-2-6-17)21-16(23)19-9-13-8-11-7-12(18)3-4-14(11)25-13/h3-4,7-8H,2,5-6,9H2,1H3,(H2,19,21,23)
• InChIKey: KTRQWCAAWBXRHZ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?

The IUPAC name of 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea (CID 126780744) is 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea.

What is the SMILES notation for 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?

The canonical SMILES for 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea is Cc1nc(C2(NC(=O)NCc3cc4cc(F)ccc4s3)CCC2)no1.

What is the InChIKey of 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?

The InChIKey is KTRQWCAAWBXRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-10-20-15(22-24-10)17(5-2-6-17)21-16(23)19-9-13-8-11-7-12(18)3-4-14(11)25-13/h3-4,7-8H,2,5-6,9H2,1H3,(H2,19,21,23).

What are the key properties of 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?

1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea has a molecular weight of 360.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-fluoro-1-benzothiophen-2-yl)methyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea is sourced from PubChem (CID 126780744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).