5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole

C17H19N3O2 — CID 167780554

IUPAC5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESC(=C/c1nc(C2CCCNC2)no1)\c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19N3O2/c1-2-14(11-18-8-1)17-19-16(22-20-17)6-4-12-3-5-15-13(10-12)7-9-21-15/h3-6,10,14,18H,1-2,7-9,11H2/b6-4+
InChIKeyFZDAZLLKKMOWKD-GQCTYLIASA-N
MW297.36 g/mol
LogP2.64
Rot. Bonds3

About 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole

5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 167780554) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID167780554
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESC(=C/c1nc(C2CCCNC2)no1)\c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19N3O2/c1-2-14(11-18-8-1)17-19-16(22-20-17)6-4-12-3-5-15-13(10-12)7-9-21-15/h3-6,10,14,18H,1-2,7-9,11H2/b6-4+
InChIKeyFZDAZLLKKMOWKD-GQCTYLIASA-N
XLogP2.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956558
1-[5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864314
3-piperidin-4-yl-5-[(E)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazole
CID 141150130
3-cyclopentyl-5-[(E)-2-(1-methylpyrrol-3-yl)ethenyl]-1,2,4-oxadiazole
CID 167918233
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
CID 43146492
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole (CID 167780554) is 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole is C(=C/c1nc(C2CCCNC2)no1)\c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is FZDAZLLKKMOWKD-GQCTYLIASA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-14(11-18-8-1)17-19-16(22-20-17)6-4-12-3-5-15-13(10-12)7-9-21-15/h3-6,10,14,18H,1-2,7-9,11H2/b6-4+.
What are the key properties of 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole?
5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 297.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167780554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).