2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide

C20H22ClN3O3 — CID 110621152

About 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide

2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide (PubChem CID 110621152) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
• PubChem CID: 110621152
• Molecular Formula: C20H22ClN3O3
• Molecular Weight: 387.87 g/mol
• Exact Mass: 387.13
• IUPAC Name: 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
• SMILES: Cc1oc(-c2ccccc2Cl)nc1CC(=O)NCC(c1ccco1)N(C)C
• InChI: InChI=1S/C20H22ClN3O3/c1-13-16(23-20(27-13)14-7-4-5-8-15(14)21)11-19(25)22-12-17(24(2)3)18-9-6-10-26-18/h4-10,17H,11-12H2,1-3H3,(H,22,25)
• InChIKey: WNJPYYTWSXCFJK-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 71.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.87
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?

The IUPAC name of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide (CID 110621152) is 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide is Cc1oc(-c2ccccc2Cl)nc1CC(=O)NCC(c1ccco1)N(C)C.

What is the InChIKey of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?

The InChIKey is WNJPYYTWSXCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13-16(23-20(27-13)14-7-4-5-8-15(14)21)11-19(25)22-12-17(24(2)3)18-9-6-10-26-18/h4-10,17H,11-12H2,1-3H3,(H,22,25).

What are the key properties of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?

2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 110621152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).