2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide

C20H24N4O3S — CID 9375346

About 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 9375346) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
• PubChem CID: 9375346
• Molecular Formula: C20H24N4O3S
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.16
• IUPAC Name: 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
• SMILES: COCCN(CC(=O)N[C@@H](C)c1ccccc1)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C20H24N4O3S/c1-15(16-7-4-3-5-8-16)21-18(25)13-24(10-11-26-2)14-19-22-23-20(27-19)17-9-6-12-28-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,21,25)/t15-/m0/s1
• InChIKey: RBISTZRHYAVAQO-HNNXBMFYSA-N
• XLogP: 3.12
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide?

The IUPAC name of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide (CID 9375346) is 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide?

The canonical SMILES for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide is COCCN(CC(=O)N[C@@H](C)c1ccccc1)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide?

The InChIKey is RBISTZRHYAVAQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-15(16-7-4-3-5-8-16)21-18(25)13-24(10-11-26-2)14-19-22-23-20(27-19)17-9-6-12-28-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,21,25)/t15-/m0/s1.

What are the key properties of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide?

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 9375346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).