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

C12H19N3OS — CID 115080734

IUPAC5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
SMILESC1CSC(Cc2noc(C3CCCNC3)n2)C1
InChIInChI=1S/C12H19N3OS/c1-3-9(8-13-5-1)12-14-11(15-16-12)7-10-4-2-6-17-10/h9-10,13H,1-8H2
InChIKeyUYLOVBLZNQQBMF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.97
Rot. Bonds3

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

5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 115080734) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID115080734
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
SMILESC1CSC(Cc2noc(C3CCCNC3)n2)C1
InChIInChI=1S/C12H19N3OS/c1-3-9(8-13-5-1)12-14-11(15-16-12)7-10-4-2-6-17-10/h9-10,13H,1-8H2
InChIKeyUYLOVBLZNQQBMF-UHFFFAOYSA-N
XLogP1.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 104911980
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole (CID 115080734) is 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole is C1CSC(Cc2noc(C3CCCNC3)n2)C1.
What is the InChIKey of 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is UYLOVBLZNQQBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-9(8-13-5-1)12-14-11(15-16-12)7-10-4-2-6-17-10/h9-10,13H,1-8H2.
What are the key properties of 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole?
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 253.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 115080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).