1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea

C20H35N5O2 — CID 126448520

About 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea (PubChem CID 126448520) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea
• PubChem CID: 126448520
• Molecular Formula: C20H35N5O2
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.28
• IUPAC Name: 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea
• SMILES: CC(C)CN1CCCC[C@H]1CCNC(=O)N(C)Cc1noc(C2CCC2)n1
• InChI: InChI=1S/C20H35N5O2/c1-15(2)13-25-12-5-4-9-17(25)10-11-21-20(26)24(3)14-18-22-19(27-23-18)16-7-6-8-16/h15-17H,4-14H2,1-3H3,(H,21,26)/t17-/m0/s1
• InChIKey: IOBAHXMQQLMRDZ-KRWDZBQOSA-N
• XLogP: 3.38
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	3.38
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-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea?

The IUPAC name of 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea (CID 126448520) is 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea.

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

The canonical SMILES for 1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea is CC(C)CN1CCCC[C@H]1CCNC(=O)N(C)Cc1noc(C2CCC2)n1.

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

The InChIKey is IOBAHXMQQLMRDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-15(2)13-25-12-5-4-9-17(25)10-11-21-20(26)24(3)14-18-22-19(27-23-18)16-7-6-8-16/h15-17H,4-14H2,1-3H3,(H,21,26)/t17-/m0/s1.

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

1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea has a molecular weight of 377.53 g/mol, XLogP of 3.38, 8 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-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea is sourced from PubChem (CID 126448520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).