5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C19H23N3O3 — CID 77080892

IUPAC5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCN(Cc3cc4ccccc4o3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-23-10-8-18-20-19(25-21-18)15-6-4-9-22(12-15)13-16-11-14-5-2-3-7-17(14)24-16/h2-3,5,7,11,15H,4,6,8-10,12-13H2,1H3
InChIKeyFUVFCTRLNRVATE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.38
Rot. Bonds6

About 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 77080892) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID77080892
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCN(Cc3cc4ccccc4o3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-23-10-8-18-20-19(25-21-18)15-6-4-9-22(12-15)13-16-11-14-5-2-3-7-17(14)24-16/h2-3,5,7,11,15H,4,6,8-10,12-13H2,1H3
InChIKeyFUVFCTRLNRVATE-UHFFFAOYSA-N
XLogP3.38
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 77080892) is 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(C2CCCN(Cc3cc4ccccc4o3)C2)n1.
What is the InChIKey of 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is FUVFCTRLNRVATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-23-10-8-18-20-19(25-21-18)15-6-4-9-22(12-15)13-16-11-14-5-2-3-7-17(14)24-16/h2-3,5,7,11,15H,4,6,8-10,12-13H2,1H3.
What are the key properties of 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 341.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 77080892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).