3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C27H31N5O2 — CID 75131284

About 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 75131284) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
• PubChem CID: 75131284
• Molecular Formula: C27H31N5O2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.25
• IUPAC Name: 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
• SMILES: Cn1cc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c2ccccc21
• InChI: InChI=1S/C27H31N5O2/c1-31-17-20(22-10-5-6-11-23(22)31)18-32-15-7-12-24(32)27-29-26(30-34-27)19-13-14-25(28-16-19)33-21-8-3-2-4-9-21/h5-6,10-11,13-14,16-17,21,24H,2-4,7-9,12,15,18H2,1H3
• InChIKey: WSDLNFRBHQMPKB-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 69.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 75131284) is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

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

The canonical SMILES for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is Cn1cc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c2ccccc21.

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

The InChIKey is WSDLNFRBHQMPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-31-17-20(22-10-5-6-11-23(22)31)18-32-15-7-12-24(32)27-29-26(30-34-27)19-13-14-25(28-16-19)33-21-8-3-2-4-9-21/h5-6,10-11,13-14,16-17,21,24H,2-4,7-9,12,15,18H2,1H3.

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

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 457.58 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75131284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).