N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C18H26N6O2 — CID 91835204

About N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 91835204) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
• PubChem CID: 91835204
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
• SMILES: CC(C)c1cc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)no1
• InChI: InChI=1S/C18H26N6O2/c1-14(2)16-11-15(21-26-16)12-22(3)17(25)13-23-7-9-24(10-8-23)18-19-5-4-6-20-18/h4-6,11,14H,7-10,12-13H2,1-3H3
• InChIKey: GLCKFBXRFGRTHR-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 78.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?

The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 91835204) is N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?

The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CC(C)c1cc(CN(C)C(=O)CN2CCN(c3ncccn3)CC2)no1.

What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?

The InChIKey is GLCKFBXRFGRTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-14(2)16-11-15(21-26-16)12-22(3)17(25)13-23-7-9-24(10-8-23)18-19-5-4-6-20-18/h4-6,11,14H,7-10,12-13H2,1-3H3.

What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?

N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 91835204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).