1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea

C19H22N4O3 — CID 72895206

About 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea (PubChem CID 72895206) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea.

Molecular Properties

• Compound Name: 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea
• PubChem CID: 72895206
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea
• SMILES: CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc2cc(C)oc12
• InChI: InChI=1S/C19H22N4O3/c1-3-23(11-16-21-18(26-22-16)13-6-4-7-13)19(24)20-15-9-5-8-14-10-12(2)25-17(14)15/h5,8-10,13H,3-4,6-7,11H2,1-2H3,(H,20,24)
• InChIKey: ZHOSNXVWRYPGJZ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea?

The IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea (CID 72895206) is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea.

What is the SMILES notation for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea?

The canonical SMILES for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea is CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc2cc(C)oc12.

What is the InChIKey of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea?

The InChIKey is ZHOSNXVWRYPGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-23(11-16-21-18(26-22-16)13-6-4-7-13)19(24)20-15-9-5-8-14-10-12(2)25-17(14)15/h5,8-10,13H,3-4,6-7,11H2,1-2H3,(H,20,24).

What are the key properties of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea?

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea has a molecular weight of 354.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(2-methyl-1-benzofuran-7-yl)urea is sourced from PubChem (CID 72895206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).