1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one

C24H27NO5S — CID 159626458

About 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one

1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one (PubChem CID 159626458) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one.

Molecular Properties

• Compound Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one
• PubChem CID: 159626458
• Molecular Formula: C24H27NO5S
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.16
• IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one
• SMILES: CCc1cccc(C)c1CC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C
• InChI: InChI=1S/C24H27NO5S/c1-5-18-9-6-8-16(2)22(18)13-20(26)14-31(27,28)15-23-17(3)30-24(25-23)19-10-7-11-21(12-19)29-4/h6-12H,5,13-15H2,1-4H3
• InChIKey: MOOCAWRGJIQXOC-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 86.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one?

The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one (CID 159626458) is 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one.

What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one?

The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one is CCc1cccc(C)c1CC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C.

What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one?

The InChIKey is MOOCAWRGJIQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-5-18-9-6-8-16(2)22(18)13-20(26)14-31(27,28)15-23-17(3)30-24(25-23)19-10-7-11-21(12-19)29-4/h6-12H,5,13-15H2,1-4H3.

What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one?

1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one has a molecular weight of 441.55 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-6-methylphenyl)-3-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]propan-2-one is sourced from PubChem (CID 159626458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).