3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

C18H20N4O2S — CID 71687054

IUPAC3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(COC3CCCN(Cc4ccsc4)C3)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-3-15(9-19-6-1)18-20-17(24-21-18)12-23-16-4-2-7-22(11-16)10-14-5-8-25-13-14/h1,3,5-6,8-9,13,16H,2,4,7,10-12H2
InChIKeyIPAXULMYMTVHNR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds6

About 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 71687054) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID71687054
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(COC3CCCN(Cc4ccsc4)C3)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-3-15(9-19-6-1)18-20-17(24-21-18)12-23-16-4-2-7-22(11-16)10-14-5-8-25-13-14/h1,3,5-6,8-9,13,16H,2,4,7,10-12H2
InChIKeyIPAXULMYMTVHNR-UHFFFAOYSA-N
XLogP3.37
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687044
3-(2-methoxyethyl)-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 87053264
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
3-(1,3-benzodioxol-5-yl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42241704
3-[5-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192073
2-pyridin-3-yl-4-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673538
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91653914
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (CID 71687054) is 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is c1cncc(-c2noc(COC3CCCN(Cc4ccsc4)C3)n2)c1.
What is the InChIKey of 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is IPAXULMYMTVHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-15(9-19-6-1)18-20-17(24-21-18)12-23-16-4-2-7-22(11-16)10-14-5-8-25-13-14/h1,3,5-6,8-9,13,16H,2,4,7,10-12H2.
What are the key properties of 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 356.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71687054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).