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

C18H20N4O2S — CID 71687044

IUPAC3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(COC3CCCN(Cc4ccsc4)C3)n2)ccn1
InChIInChI=1S/C18H20N4O2S/c1-2-16(11-22(8-1)10-14-5-9-25-13-14)23-12-17-20-18(21-24-17)15-3-6-19-7-4-15/h3-7,9,13,16H,1-2,8,10-12H2
InChIKeyFLXLRUBFVPEOHP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.37
Rot. Bonds6

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

3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 71687044) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID71687044
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(COC3CCCN(Cc4ccsc4)C3)n2)ccn1
InChIInChI=1S/C18H20N4O2S/c1-2-16(11-22(8-1)10-14-5-9-25-13-14)23-12-17-20-18(21-24-17)15-3-6-19-7-4-15/h3-7,9,13,16H,1-2,8,10-12H2
InChIKeyFLXLRUBFVPEOHP-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-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687054
3-(2-methoxyethyl)-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 87053264
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
5-[[1-(furan-3-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 155900360
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91653914
5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87053188
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163339527
3-(1,3-benzodioxol-5-yl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42241704
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127
1-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95110773

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (CID 71687044) is 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is c1cc(-c2noc(COC3CCCN(Cc4ccsc4)C3)n2)ccn1.
What is the InChIKey of 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is FLXLRUBFVPEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-16(11-22(8-1)10-14-5-9-25-13-14)23-12-17-20-18(21-24-17)15-3-6-19-7-4-15/h3-7,9,13,16H,1-2,8,10-12H2.
What are the key properties of 3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
3-pyridin-4-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-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71687044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).