[1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

C27H23ClN4O3 — CID 90890395

About [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

[1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 90890395) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

• Compound Name: [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
• PubChem CID: 90890395
• Molecular Formula: C27H23ClN4O3
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.15
• IUPAC Name: [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
• SMILES: CCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)c(C)n2CCc1cccc(Cl)c1
• InChI: InChI=1S/C27H23ClN4O3/c1-3-34-20-10-11-23-21(16-20)24(17(2)32(23)14-12-18-7-6-8-19(28)15-18)25(33)27-31-30-26(35-27)22-9-4-5-13-29-22/h4-11,13,15-16H,3,12,14H2,1-2H3
• InChIKey: KXKKUODSXCMEFV-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 83.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

The IUPAC name of [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 90890395) is [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

What is the SMILES notation for [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

The canonical SMILES for [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is CCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)c(C)n2CCc1cccc(Cl)c1.

What is the InChIKey of [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

The InChIKey is KXKKUODSXCMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c1-3-34-20-10-11-23-21(16-20)24(17(2)32(23)14-12-18-7-6-8-19(28)15-18)25(33)27-31-30-26(35-27)22-9-4-5-13-29-22/h4-11,13,15-16H,3,12,14H2,1-2H3.

What are the key properties of [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

[1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 486.96 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(3-chlorophenyl)ethyl]-5-ethoxy-2-methylindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 90890395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).