4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C21H22N4O6S — CID 2158925

About 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2158925) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 2158925
• Molecular Formula: C21H22N4O6S
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.13
• IUPAC Name: 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3COCC3(C)C)cc2)o1
• InChI: InChI=1S/C21H22N4O6S/c1-21(2)12-30-13-25(21)32(27,28)15-10-8-14(9-11-15)18(26)22-20-24-23-19(31-20)16-6-4-5-7-17(16)29-3/h4-11H,12-13H2,1-3H3,(H,22,24,26)
• InChIKey: DYDDSIMJKTYDGT-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 123.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2158925) is 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3COCC3(C)C)cc2)o1.

What is the InChIKey of 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is DYDDSIMJKTYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-21(2)12-30-13-25(21)32(27,28)15-10-8-14(9-11-15)18(26)22-20-24-23-19(31-20)16-6-4-5-7-17(16)29-3/h4-11H,12-13H2,1-3H3,(H,22,24,26).

What are the key properties of 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 458.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2158925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).