2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide

C17H28N4O3 — CID 154749212

About 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 154749212) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
• PubChem CID: 154749212
• Molecular Formula: C17H28N4O3
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.22
• IUPAC Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
• SMILES: Cc1cnc(CN(C)C2CCN(CC(=O)NC3CCOCC3)C2)o1
• InChI: InChI=1S/C17H28N4O3/c1-13-9-18-17(24-13)12-20(2)15-3-6-21(10-15)11-16(22)19-14-4-7-23-8-5-14/h9,14-15H,3-8,10-12H2,1-2H3,(H,19,22)
• InChIKey: FHOOMARXQHUJBS-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	0.78
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-(oxan-4-yl)acetamide?

The IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide (CID 154749212) is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide.

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

The canonical SMILES for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide is Cc1cnc(CN(C)C2CCN(CC(=O)NC3CCOCC3)C2)o1.

What is the InChIKey of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide?

The InChIKey is FHOOMARXQHUJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-9-18-17(24-13)12-20(2)15-3-6-21(10-15)11-16(22)19-14-4-7-23-8-5-14/h9,14-15H,3-8,10-12H2,1-2H3,(H,19,22).

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

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.78, 6 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-(oxan-4-yl)acetamide is sourced from PubChem (CID 154749212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).