3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C18H18N6O4 — CID 37202045

IUPAC3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCN(Cc4nc(-c5ccco5)no4)CC3)n2)c1
InChIInChI=1S/C18H18N6O4/c1-3-13(25-9-1)17-19-15(27-21-17)11-23-5-7-24(8-6-23)12-16-20-18(22-28-16)14-4-2-10-26-14/h1-4,9-10H,5-8,11-12H2
InChIKeyALGOJXVOIANLTK-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.29
Rot. Bonds6

About 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 37202045) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID37202045
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CN3CCN(Cc4nc(-c5ccco5)no4)CC3)n2)c1
InChIInChI=1S/C18H18N6O4/c1-3-13(25-9-1)17-19-15(27-21-17)11-23-5-7-24(8-6-23)12-16-20-18(22-28-16)14-4-2-10-26-14/h1-4,9-10H,5-8,11-12H2
InChIKeyALGOJXVOIANLTK-UHFFFAOYSA-N
XLogP2.29
TPSA110.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 134019522
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 86774857
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 86928388
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917768
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 134019590
3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 91842285
5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 37266637

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 37202045) is 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1coc(-c2noc(CN3CCN(Cc4nc(-c5ccco5)no4)CC3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ALGOJXVOIANLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-3-13(25-9-1)17-19-15(27-21-17)11-23-5-7-24(8-6-23)12-16-20-18(22-28-16)14-4-2-10-26-14/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 382.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 37202045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).