N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

C28H33N5O3 — CID 50827539

About N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 50827539) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• PubChem CID: 50827539
• Molecular Formula: C28H33N5O3
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.26
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• SMILES: CCOc1ccccc1CNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21
• InChI: InChI=1S/C28H33N5O3/c1-3-35-25-11-7-4-8-21(25)16-29-26(34)18-33-17-23(22-9-5-6-10-24(22)33)28-31-30-27(36-28)19-32-14-12-20(2)13-15-32/h4-11,17,20H,3,12-16,18-19H2,1-2H3,(H,29,34)
• InChIKey: QSAZELXNCKHUKJ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 50827539) is N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is CCOc1ccccc1CNC(=O)Cn1cc(-c2nnc(CN3CCC(C)CC3)o2)c2ccccc21.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The InChIKey is QSAZELXNCKHUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-3-35-25-11-7-4-8-21(25)16-29-26(34)18-33-17-23(22-9-5-6-10-24(22)33)28-31-30-27(36-28)19-32-14-12-20(2)13-15-32/h4-11,17,20H,3,12-16,18-19H2,1-2H3,(H,29,34).

What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 50827539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).