2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C19H23N5O4S — CID 18197616

About 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 18197616) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
• PubChem CID: 18197616
• Molecular Formula: C19H23N5O4S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.15
• IUPAC Name: 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
• SMILES: CCCN(CC(=O)NC(=O)NCCc1cccs1)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C19H23N5O4S/c1-2-9-24(13-17-22-23-18(28-17)15-6-3-10-27-15)12-16(25)21-19(26)20-8-7-14-5-4-11-29-14/h3-6,10-11H,2,7-9,12-13H2,1H3,(H2,20,21,25,26)
• InChIKey: SRAHLCNIDXVMJW-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 18197616) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CCCN(CC(=O)NC(=O)NCCc1cccs1)Cc1nnc(-c2ccco2)o1.

What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

The InChIKey is SRAHLCNIDXVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-2-9-24(13-17-22-23-18(28-17)15-6-3-10-27-15)12-16(25)21-19(26)20-8-7-14-5-4-11-29-14/h3-6,10-11H,2,7-9,12-13H2,1H3,(H2,20,21,25,26).

What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 18197616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).