2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide

C17H28N4O3 — CID 97008154

About 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide

2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide (PubChem CID 97008154) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
• PubChem CID: 97008154
• Molecular Formula: C17H28N4O3
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.22
• IUPAC Name: 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
• SMILES: Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)NC[C@@H]3CCOC3)C2)o1
• InChI: InChI=1S/C17H28N4O3/c1-13-7-19-17(24-13)11-20(2)15-3-5-21(9-15)10-16(22)18-8-14-4-6-23-12-14/h7,14-15H,3-6,8-12H2,1-2H3,(H,18,22)/t14-,15+/m0/s1
• InChIKey: SZFXODIMRAHNGZ-LSDHHAIUSA-N
• XLogP: 0.64
• TPSA: 70.84 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	336.44
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide (CID 97008154) is 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide.

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

The canonical SMILES for 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide is Cc1cnc(CN(C)[C@@H]2CCN(CC(=O)NC[C@@H]3CCOC3)C2)o1.

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

The InChIKey is SZFXODIMRAHNGZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13-7-19-17(24-13)11-20(2)15-3-5-21(9-15)10-16(22)18-8-14-4-6-23-12-14/h7,14-15H,3-6,8-12H2,1-2H3,(H,18,22)/t14-,15+/m0/s1.

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

2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97008154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).