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

C11H12ClN3O2 — CID 115080752

IUPAC3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(C3CCCNC3)n2)o1
InChIInChI=1S/C11H12ClN3O2/c12-9-4-3-8(16-9)10-14-11(17-15-10)7-2-1-5-13-6-7/h3-4,7,13H,1-2,5-6H2
InChIKeyJWLLRSCZPAXQGX-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.45
Rot. Bonds2

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

3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 115080752) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID115080752
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(C3CCCNC3)n2)o1
InChIInChI=1S/C11H12ClN3O2/c12-9-4-3-8(16-9)10-14-11(17-15-10)7-2-1-5-13-6-7/h3-4,7,13H,1-2,5-6H2
InChIKeyJWLLRSCZPAXQGX-UHFFFAOYSA-N
XLogP2.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 115080752) is 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole is Clc1ccc(-c2noc(C3CCCNC3)n2)o1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is JWLLRSCZPAXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-9-4-3-8(16-9)10-14-11(17-15-10)7-2-1-5-13-6-7/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 253.69 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115080752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).