2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

C43H46N6O4S2 — CID 145342267

About 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 145342267) has the molecular formula C43H46N6O4S2 and a molecular weight of 775.01 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
• PubChem CID: 145342267
• Molecular Formula: C43H46N6O4S2
• Molecular Weight: 775.01 g/mol
• Exact Mass: 774.30
• IUPAC Name: 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
• SMILES: CCN(CC(=O)Nc1ccc(OC)cc1)Cc1coc(-c2ccc(C)cc2C)n1.COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21
• InChI: InChI=1S/C23H27N3O3.C20H19N3OS2/c1-5-26(14-22(27)24-18-7-9-20(28-4)10-8-18)13-19-15-29-23(25-19)21-11-6-16(2)12-17(21)3;1-24-12-11-23-18-10-6-5-9-17(18)22-20(23)26-14-16-13-25-19(21-16)15-7-3-2-4-8-15/h6-12,15H,5,13-14H2,1-4H3,(H,24,27);2-10,13H,11-12,14H2,1H3
• InChIKey: JNVSALPDSSHCOZ-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 107.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	775.01
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?

The IUPAC name of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 145342267) is 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

What is the SMILES notation for 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?

The canonical SMILES for 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is CCN(CC(=O)Nc1ccc(OC)cc1)Cc1coc(-c2ccc(C)cc2C)n1.COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21.

What is the InChIKey of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?

The InChIKey is JNVSALPDSSHCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3.C20H19N3OS2/c1-5-26(14-22(27)24-18-7-9-20(28-4)10-8-18)13-19-15-29-23(25-19)21-11-6-16(2)12-17(21)3;1-24-12-11-23-18-10-6-5-9-17(18)22-20(23)26-14-16-13-25-19(21-16)15-7-3-2-4-8-15/h6-12,15H,5,13-14H2,1-4H3,(H,24,27);2-10,13H,11-12,14H2,1H3.

What are the key properties of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?

2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 775.01 g/mol, XLogP of 9.53, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-ethylamino]-N-(4-methoxyphenyl)acetamide;4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 145342267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).