1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea

C18H26N6O2 — CID 120958533

About 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea

1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea (PubChem CID 120958533) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea
• PubChem CID: 120958533
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea
• SMILES: CN(Cc1ccccc1)C(=O)NCCc1nc(C2CNCCN2C)no1
• InChI: InChI=1S/C18H26N6O2/c1-23-11-10-19-12-15(23)17-21-16(26-22-17)8-9-20-18(25)24(2)13-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,20,25)
• InChIKey: AAAFUAYZIKEBLW-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 86.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea (CID 120958533) is 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea.

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

The canonical SMILES for 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea is CN(Cc1ccccc1)C(=O)NCCc1nc(C2CNCCN2C)no1.

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

The InChIKey is AAAFUAYZIKEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-23-11-10-19-12-15(23)17-21-16(26-22-17)8-9-20-18(25)24(2)13-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,20,25).

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

1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea has a molecular weight of 358.45 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea is sourced from PubChem (CID 120958533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).