N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C23H25N3O3 — CID 110353127

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110353127) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
• PubChem CID: 110353127
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
• SMILES: COc1cccc(-c2nc(CC(=O)NCCN3CCc4ccccc43)c(C)o2)c1
• InChI: InChI=1S/C23H25N3O3/c1-16-20(25-23(29-16)18-7-5-8-19(14-18)28-2)15-22(27)24-11-13-26-12-10-17-6-3-4-9-21(17)26/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)
• InChIKey: VQLXHGTTZYNCBJ-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110353127) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

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

The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1cccc(-c2nc(CC(=O)NCCN3CCc4ccccc43)c(C)o2)c1.

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

The InChIKey is VQLXHGTTZYNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-20(25-23(29-16)18-7-5-8-19(14-18)28-2)15-22(27)24-11-13-26-12-10-17-6-3-4-9-21(17)26/h3-9,14H,10-13,15H2,1-2H3,(H,24,27).

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

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110353127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).