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

C18H20N4O3 — CID 87053202

IUPAC5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(COC3CCN(Cc4ccco4)CC3)n2)c1
InChIInChI=1S/C18H20N4O3/c1-3-14(11-19-7-1)18-20-17(25-21-18)13-24-15-5-8-22(9-6-15)12-16-4-2-10-23-16/h1-4,7,10-11,15H,5-6,8-9,12-13H2
InChIKeyXVZQUWBOVYCPFM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds6

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

5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 87053202) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID87053202
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(COC3CCN(Cc4ccco4)CC3)n2)c1
InChIInChI=1S/C18H20N4O3/c1-3-14(11-19-7-1)18-20-17(25-21-18)13-24-15-5-8-22(9-6-15)12-16-4-2-10-23-16/h1-4,7,10-11,15H,5-6,8-9,12-13H2
InChIKeyXVZQUWBOVYCPFM-UHFFFAOYSA-N
XLogP2.91
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 87053202) is 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(COC3CCN(Cc4ccco4)CC3)n2)c1.
What is the InChIKey of 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is XVZQUWBOVYCPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-14(11-19-7-1)18-20-17(25-21-18)13-24-15-5-8-22(9-6-15)12-16-4-2-10-23-16/h1-4,7,10-11,15H,5-6,8-9,12-13H2.
What are the key properties of 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 340.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(furan-2-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87053202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).