5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide

C29H35N5O4 — CID 154640150

About 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide

5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 154640150) has the molecular formula C29H35N5O4 and a molecular weight of 517.63 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 154640150
• Molecular Formula: C29H35N5O4
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.27
• IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide
• SMILES: CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(-c3nnc(C(=O)NC4CCN(C(C)C)CC4)o3)cc12
• InChI: InChI=1S/C29H35N5O4/c1-6-21-22-15-19(7-9-23(22)31-26(21)18-8-10-24(36-4)25(16-18)37-5)28-32-33-29(38-28)27(35)30-20-11-13-34(14-12-20)17(2)3/h7-10,15-17,20,31H,6,11-14H2,1-5H3,(H,30,35)
• InChIKey: ZRQTVUGWXXIYJS-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 105.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide (CID 154640150) is 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(-c3nnc(C(=O)NC4CCN(C(C)C)CC4)o3)cc12.

What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is ZRQTVUGWXXIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4/c1-6-21-22-15-19(7-9-23(22)31-26(21)18-8-10-24(36-4)25(16-18)37-5)28-32-33-29(38-28)27(35)30-20-11-13-34(14-12-20)17(2)3/h7-10,15-17,20,31H,6,11-14H2,1-5H3,(H,30,35).

What are the key properties of 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide?

5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 517.63 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 154640150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).