5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide

C20H21N3O4S — CID 43843832

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 43843832) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 43843832
• Molecular Formula: C20H21N3O4S
• Molecular Weight: 399.47 g/mol
• Exact Mass: 399.13
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
• SMILES: CN(C)C(CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccs1
• InChI: InChI=1S/C20H21N3O4S/c1-23(2)15(19-4-3-9-28-19)12-21-20(24)14-11-17(27-22-14)13-5-6-16-18(10-13)26-8-7-25-16/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,21,24)
• InChIKey: OKKROOUOSHEGEJ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.47
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide (CID 43843832) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide is CN(C)C(CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccs1.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is OKKROOUOSHEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-23(2)15(19-4-3-9-28-19)12-21-20(24)14-11-17(27-22-14)13-5-6-16-18(10-13)26-8-7-25-16/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,21,24).

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43843832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).