2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

C16H21N3O3S — CID 121116704

IUPAC2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(C3CCN(CCC4OCCO4)CC3)o2)cs1
InChIInChI=1S/C16H21N3O3S/c1-5-19(7-3-14-20-8-9-21-14)6-2-12(1)15-17-18-16(22-15)13-4-10-23-11-13/h4,10-12,14H,1-3,5-9H2
InChIKeyOZWJTECCCRJMJG-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole

2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 121116704) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID121116704
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(C3CCN(CCC4OCCO4)CC3)o2)cs1
InChIInChI=1S/C16H21N3O3S/c1-5-19(7-3-14-20-8-9-21-14)6-2-12(1)15-17-18-16(22-15)13-4-10-23-11-13/h4,10-12,14H,1-3,5-9H2
InChIKeyOZWJTECCCRJMJG-UHFFFAOYSA-N
XLogP2.74
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 121116704) is 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is c1cc(-c2nnc(C3CCN(CCC4OCCO4)CC3)o2)cs1.
What is the InChIKey of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is OZWJTECCCRJMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-5-19(7-3-14-20-8-9-21-14)6-2-12(1)15-17-18-16(22-15)13-4-10-23-11-13/h4,10-12,14H,1-3,5-9H2.
What are the key properties of 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 335.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121116704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).