cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C18H22N4O2 — CID 164634616

About cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone

cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 164634616) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 164634616
• Molecular Formula: C18H22N4O2
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.17
• IUPAC Name: cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(C1CCCC1)N1CC[C@H](Cc2noc(-c3ccncc3)n2)C1
• InChI: InChI=1S/C18H22N4O2/c23-18(15-3-1-2-4-15)22-10-7-13(12-22)11-16-20-17(24-21-16)14-5-8-19-9-6-14/h5-6,8-9,13,15H,1-4,7,10-12H2/t13-/m1/s1
• InChIKey: VHJZMZAWGVRJLZ-CYBMUJFWSA-N
• XLogP: 2.71
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 164634616) is cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CC[C@H](Cc2noc(-c3ccncc3)n2)C1.

What is the InChIKey of cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is VHJZMZAWGVRJLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(15-3-1-2-4-15)22-10-7-13(12-22)11-16-20-17(24-21-16)14-5-8-19-9-6-14/h5-6,8-9,13,15H,1-4,7,10-12H2/t13-/m1/s1.

What are the key properties of cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone?

cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164634616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).