3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole

C15H21N3O2 — CID 104788733

IUPAC3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCc1occc1-c1noc(C(C)(C)C2CCCNC2)n1
InChIInChI=1S/C15H21N3O2/c1-10-12(6-8-19-10)13-17-14(20-18-13)15(2,3)11-5-4-7-16-9-11/h6,8,11,16H,4-5,7,9H2,1-3H3
InChIKeyAZGFPSHGEWXRMO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.92
Rot. Bonds3

About 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole

3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 104788733) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID104788733
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCc1occc1-c1noc(C(C)(C)C2CCCNC2)n1
InChIInChI=1S/C15H21N3O2/c1-10-12(6-8-19-10)13-17-14(20-18-13)15(2,3)11-5-4-7-16-9-11/h6,8,11,16H,4-5,7,9H2,1-3H3
InChIKeyAZGFPSHGEWXRMO-UHFFFAOYSA-N
XLogP2.92
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 104788733) is 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is Cc1occc1-c1noc(C(C)(C)C2CCCNC2)n1.
What is the InChIKey of 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is AZGFPSHGEWXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-12(6-8-19-10)13-17-14(20-18-13)15(2,3)11-5-4-7-16-9-11/h6,8,11,16H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 275.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104788733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).