3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide

C20H22N2O6S — CID 53059989

About 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 53059989) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 53059989
• Molecular Formula: C20H22N2O6S
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.12
• IUPAC Name: 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide
• SMILES: COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccco1
• InChI: InChI=1S/C20H22N2O6S/c1-13-14(2)22-28-20(13)15-6-7-17(26-3)18(11-15)29(24,25)10-8-19(23)21-12-16-5-4-9-27-16/h4-7,9,11H,8,10,12H2,1-3H3,(H,21,23)
• InChIKey: MQVBIVBINRTBJG-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 111.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide (CID 53059989) is 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide is COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccco1.

What is the InChIKey of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide?

The InChIKey is MQVBIVBINRTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-13-14(2)22-28-20(13)15-6-7-17(26-3)18(11-15)29(24,25)10-8-19(23)21-12-16-5-4-9-27-16/h4-7,9,11H,8,10,12H2,1-3H3,(H,21,23).

What are the key properties of 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide?

3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 418.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 53059989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).