2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide

C35H37N3O5 — CID 71251104

About 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide

2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide (PubChem CID 71251104) has the molecular formula C35H37N3O5 and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
• PubChem CID: 71251104
• Molecular Formula: C35H37N3O5
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.27
• IUPAC Name: 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
• SMILES: Cc1ccc(C(NC(=O)Cc2ccc3oc(C(OCC(=O)N(C)C)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1
• InChI: InChI=1S/C35H37N3O5/c1-21-12-14-28(22(2)16-21)34(26-10-8-7-9-11-26)36-31(39)18-25-13-15-29-27(17-25)19-30(42-29)35(41-20-32(40)38(5)6)33-23(3)37-43-24(33)4/h7-17,19,34-35H,18,20H2,1-6H3,(H,36,39)
• InChIKey: ZOHGEZQUIJPAFK-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 97.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?

The IUPAC name of 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide (CID 71251104) is 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide.

What is the SMILES notation for 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?

The canonical SMILES for 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc3oc(C(OCC(=O)N(C)C)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1.

What is the InChIKey of 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?

The InChIKey is ZOHGEZQUIJPAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O5/c1-21-12-14-28(22(2)16-21)34(26-10-8-7-9-11-26)36-31(39)18-25-13-15-29-27(17-25)19-30(42-29)35(41-20-32(40)38(5)6)33-23(3)37-43-24(33)4/h7-17,19,34-35H,18,20H2,1-6H3,(H,36,39).

What are the key properties of 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide?

2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide has a molecular weight of 579.70 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(dimethylamino)-2-oxoethoxy]-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 71251104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).