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

C18H22N4O2 — CID 164634616

IUPACcyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@H](Cc2noc(-c3ccncc3)n2)C1
InChIInChI=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
InChIKeyVHJZMZAWGVRJLZ-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds4

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 Namecyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID164634616
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namecyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@H](Cc2noc(-c3ccncc3)n2)C1
InChIInChI=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
InChIKeyVHJZMZAWGVRJLZ-CYBMUJFWSA-N
XLogP2.71
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).