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

C8H12ClN3O — CID 84670367

IUPAC2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
SMILESClc1nnc(CC2CCCCN2)o1
InChIInChI=1S/C8H12ClN3O/c9-8-12-11-7(13-8)5-6-3-1-2-4-10-6/h6,10H,1-5H2
InChIKeyOWNWYLYAMZCSFD-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.41
Rot. Bonds2

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

2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 84670367) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID84670367
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
SMILESClc1nnc(CC2CCCCN2)o1
InChIInChI=1S/C8H12ClN3O/c9-8-12-11-7(13-8)5-6-3-1-2-4-10-6/h6,10H,1-5H2
InChIKeyOWNWYLYAMZCSFD-UHFFFAOYSA-N
XLogP1.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 115040962
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
CID 82655511
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
2-(2H-tetrazol-5-ylmethyl)piperidine
CID 84652779
2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
CID 125493206
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-(2-piperidin-2-ylethyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 82132508
N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 71640791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (CID 84670367) is 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is Clc1nnc(CC2CCCCN2)o1.
What is the InChIKey of 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is OWNWYLYAMZCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-8-12-11-7(13-8)5-6-3-1-2-4-10-6/h6,10H,1-5H2.
What are the key properties of 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 201.66 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 84670367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).