3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C26H29N5O2 — CID 75131275

About 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 75131275) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
• PubChem CID: 75131275
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
• SMILES: c1ccc2c(CN3CCCC3c3nc(-c4ccc(OC5CCCCC5)nc4)no3)c[nH]c2c1
• InChI: InChI=1S/C26H29N5O2/c1-2-7-20(8-3-1)32-24-13-12-18(15-28-24)25-29-26(33-30-25)23-11-6-14-31(23)17-19-16-27-22-10-5-4-9-21(19)22/h4-5,9-10,12-13,15-16,20,23,27H,1-3,6-8,11,14,17H2
• InChIKey: OUNARHOHWXBBJP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 80.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 75131275) is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is c1ccc2c(CN3CCCC3c3nc(-c4ccc(OC5CCCCC5)nc4)no3)c[nH]c2c1.

What is the InChIKey of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?

The InChIKey is OUNARHOHWXBBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-2-7-20(8-3-1)32-24-13-12-18(15-28-24)25-29-26(33-30-25)23-11-6-14-31(23)17-19-16-27-22-10-5-4-9-21(19)22/h4-5,9-10,12-13,15-16,20,23,27H,1-3,6-8,11,14,17H2.

What are the key properties of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 443.55 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75131275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).