N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

C17H23N3O3S — CID 92722005

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 92722005) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

• Compound Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
• PubChem CID: 92722005
• Molecular Formula: C17H23N3O3S
• Molecular Weight: 349.46 g/mol
• Exact Mass: 349.15
• IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
• SMILES: CCN1CCC[C@@H]1CNC(=O)COCc1cc(-c2cccs2)on1
• InChI: InChI=1S/C17H23N3O3S/c1-2-20-7-3-5-14(20)10-18-17(21)12-22-11-13-9-15(23-19-13)16-6-4-8-24-16/h4,6,8-9,14H,2-3,5,7,10-12H2,1H3,(H,18,21)/t14-/m1/s1
• InChIKey: VDJXYNFDJHGCCI-CQSZACIVSA-N
• XLogP: 2.52
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.46
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?

The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 92722005) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?

The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is CCN1CCC[C@@H]1CNC(=O)COCc1cc(-c2cccs2)on1.

What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?

The InChIKey is VDJXYNFDJHGCCI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-2-20-7-3-5-14(20)10-18-17(21)12-22-11-13-9-15(23-19-13)16-6-4-8-24-16/h4,6,8-9,14H,2-3,5,7,10-12H2,1H3,(H,18,21)/t14-/m1/s1.

What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 92722005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).