5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole

C24H28N4O2 — CID 75131269

IUPAC5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1ccc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-8-18(9-4-1)17-28-15-7-12-21(28)24-26-23(27-30-24)19-13-14-22(25-16-19)29-20-10-5-2-6-11-20/h1,3-4,8-9,13-14,16,20-21H,2,5-7,10-12,15,17H2
InChIKeyVKYDGONYYAMZDK-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.18
Rot. Bonds6

About 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole

5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 75131269) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID75131269
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1ccc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-8-18(9-4-1)17-28-15-7-12-21(28)24-26-23(27-30-24)19-13-14-22(25-16-19)29-20-10-5-2-6-11-20/h1,3-4,8-9,13-14,16,20-21H,2,5-7,10-12,15,17H2
InChIKeyVKYDGONYYAMZDK-UHFFFAOYSA-N
XLogP5.18
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131281
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131275
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131284
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131384
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162799125

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole (CID 75131269) is 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole is c1ccc(CN2CCCC2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1.
What is the InChIKey of 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is VKYDGONYYAMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-8-18(9-4-1)17-28-15-7-12-21(28)24-26-23(27-30-24)19-13-14-22(25-16-19)29-20-10-5-2-6-11-20/h1,3-4,8-9,13-14,16,20-21H,2,5-7,10-12,15,17H2.
What are the key properties of 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole?
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 404.51 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75131269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).