2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H38N6O4 — CID 16579371

About 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 16579371) has the molecular formula C23H38N6O4 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
• PubChem CID: 16579371
• Molecular Formula: C23H38N6O4
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.30
• IUPAC Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
• SMILES: Cc1cc(NC(=O)CN2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)no1
• InChI: InChI=1S/C23H38N6O4/c1-19-15-20(26-33-19)25-22(31)17-28-9-7-27(8-10-28)16-21(30)24-18-23(5-3-2-4-6-23)29-11-13-32-14-12-29/h15H,2-14,16-18H2,1H3,(H,24,30)(H,25,26,31)
• InChIKey: RWCXZKULNGMBMZ-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 103.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The IUPAC name of 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 16579371) is 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

What is the SMILES notation for 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The canonical SMILES for 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1cc(NC(=O)CN2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)no1.

What is the InChIKey of 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

The InChIKey is RWCXZKULNGMBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O4/c1-19-15-20(26-33-19)25-22(31)17-28-9-7-27(8-10-28)16-21(30)24-18-23(5-3-2-4-6-23)29-11-13-32-14-12-29/h15H,2-14,16-18H2,1H3,(H,24,30)(H,25,26,31).

What are the key properties of 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?

2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 462.60 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 16579371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).