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

C25H30N4O2 — CID 75131281

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

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 75131281) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
• PubChem CID: 75131281
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
• SMILES: Cc1ccc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1
• InChI: InChI=1S/C25H30N4O2/c1-18-9-11-19(12-10-18)17-29-15-5-8-22(29)25-27-24(28-31-25)20-13-14-23(26-16-20)30-21-6-3-2-4-7-21/h9-14,16,21-22H,2-8,15,17H2,1H3
• InChIKey: BQFGPDARWUEBJK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 64.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 75131281) is 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

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

The canonical SMILES for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1ccc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1.

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

The InChIKey is BQFGPDARWUEBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-9-11-19(12-10-18)17-29-15-5-8-22(29)25-27-24(28-31-25)20-13-14-23(26-16-20)30-21-6-3-2-4-7-21/h9-14,16,21-22H,2-8,15,17H2,1H3.

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

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 418.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75131281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).