1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea

C16H21N5O3 — CID 118760709

About 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 118760709) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
• PubChem CID: 118760709
• Molecular Formula: C16H21N5O3
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.16
• IUPAC Name: 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
• SMILES: CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1ccc(OC)nc1
• InChI: InChI=1S/C16H21N5O3/c1-3-21(10-13-19-15(24-20-13)11-5-4-6-11)16(22)18-12-7-8-14(23-2)17-9-12/h7-9,11H,3-6,10H2,1-2H3,(H,18,22)
• InChIKey: IUMKDDAVDLEESS-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea?

The IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea (CID 118760709) is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea.

What is the SMILES notation for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea?

The canonical SMILES for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea is CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1ccc(OC)nc1.

What is the InChIKey of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea?

The InChIKey is IUMKDDAVDLEESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-21(10-13-19-15(24-20-13)11-5-4-6-11)16(22)18-12-7-8-14(23-2)17-9-12/h7-9,11H,3-6,10H2,1-2H3,(H,18,22).

What are the key properties of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea?

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 331.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 118760709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).