2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C16H27N5O3 — CID 98799398

About 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 98799398) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
• PubChem CID: 98799398
• Molecular Formula: C16H27N5O3
• Molecular Weight: 337.42 g/mol
• Exact Mass: 337.21
• IUPAC Name: 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
• SMILES: Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NC[C@H]3CCOC3)C2)no1
• InChI: InChI=1S/C16H27N5O3/c1-12-18-15(19-24-12)9-20(2)14-3-5-21(8-14)10-16(22)17-7-13-4-6-23-11-13/h13-14H,3-11H2,1-2H3,(H,17,22)/t13-,14-/m1/s1
• InChIKey: MZLQVHPWDDMXBG-ZIAGYGMSSA-N
• XLogP: 0.04
• TPSA: 83.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.42
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?

The IUPAC name of 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 98799398) is 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

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

The canonical SMILES for 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is Cc1nc(CN(C)[C@@H]2CCN(CC(=O)NC[C@H]3CCOC3)C2)no1.

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

The InChIKey is MZLQVHPWDDMXBG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-12-18-15(19-24-12)9-20(2)14-3-5-21(8-14)10-16(22)17-7-13-4-6-23-11-13/h13-14H,3-11H2,1-2H3,(H,17,22)/t13-,14-/m1/s1.

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

2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 98799398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).