2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H22N4O3S — CID 42887936

About 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42887936) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 42887936
• Molecular Formula: C19H22N4O3S
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.14
• IUPAC Name: 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CN2CCN(C(=O)C3Cc4ccccc4S3)CC2)no1
• InChI: InChI=1S/C19H22N4O3S/c1-13-10-17(21-26-13)20-18(24)12-22-6-8-23(9-7-22)19(25)16-11-14-4-2-3-5-15(14)27-16/h2-5,10,16H,6-9,11-12H2,1H3,(H,20,21,24)
• InChIKey: BGRXMCUXAZJKBL-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42887936) is 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)C3Cc4ccccc4S3)CC2)no1.

What is the InChIKey of 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is BGRXMCUXAZJKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-10-17(21-26-13)20-18(24)12-22-6-8-23(9-7-22)19(25)16-11-14-4-2-3-5-15(14)27-16/h2-5,10,16H,6-9,11-12H2,1H3,(H,20,21,24).

What are the key properties of 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42887936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).