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

C19H28N4O3S — CID 8711077

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

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 8711077) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
• PubChem CID: 8711077
• Molecular Formula: C19H28N4O3S
• Molecular Weight: 392.53 g/mol
• Exact Mass: 392.19
• IUPAC Name: 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
• SMILES: COCCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C19H28N4O3S/c1-14-6-3-4-7-15(14)20-17(24)12-23(9-10-25-2)13-18-21-22-19(26-18)16-8-5-11-27-16/h5,8,11,14-15H,3-4,6-7,9-10,12-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
• InChIKey: DVNCGULKDDCOEU-GJZGRUSLSA-N
• XLogP: 2.94
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.53
LogP ≤ 5	2.94
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,2S)-2-methylcyclohexyl]acetamide?

The IUPAC name of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 8711077) is 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

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

The canonical SMILES for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is COCCN(CC(=O)N[C@H]1CCCC[C@@H]1C)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,2S)-2-methylcyclohexyl]acetamide?

The InChIKey is DVNCGULKDDCOEU-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-14-6-3-4-7-15(14)20-17(24)12-23(9-10-25-2)13-18-21-22-19(26-18)16-8-5-11-27-16/h5,8,11,14-15H,3-4,6-7,9-10,12-13H2,1-2H3,(H,20,24)/t14-,15-/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,2S)-2-methylcyclohexyl]acetamide?

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 392.53 g/mol, XLogP of 2.94, 9 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,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 8711077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).