2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H24N4O2S — CID 71928394

About 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 71928394) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 71928394
• Molecular Formula: C17H24N4O2S
• Molecular Weight: 348.47 g/mol
• Exact Mass: 348.16
• IUPAC Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: Cc1cnc(CN(C)C2CCN(CC(=O)NCc3cccs3)C2)o1
• InChI: InChI=1S/C17H24N4O2S/c1-13-8-19-17(23-13)12-20(2)14-5-6-21(10-14)11-16(22)18-9-15-4-3-7-24-15/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H,18,22)
• InChIKey: CRPJBBHZDYINLT-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.47
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 71928394) is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cnc(CN(C)C2CCN(CC(=O)NCc3cccs3)C2)o1.

What is the InChIKey of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is CRPJBBHZDYINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-8-19-17(23-13)12-20(2)14-5-6-21(10-14)11-16(22)18-9-15-4-3-7-24-15/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H,18,22).

What are the key properties of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 71928394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).