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

C8H12ClN3O — CID 106956356

IUPAC2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESClCc1nnc(N2CCCCC2)o1
InChIInChI=1S/C8H12ClN3O/c9-6-7-10-11-8(13-7)12-4-2-1-3-5-12/h1-6H2
InChIKeyNVSLDTPJZGEVGR-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.80
Rot. Bonds2

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

2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole (PubChem CID 106956356) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
PubChem CID106956356
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESClCc1nnc(N2CCCCC2)o1
InChIInChI=1S/C8H12ClN3O/c9-6-7-10-11-8(13-7)12-4-2-1-3-5-12/h1-6H2
InChIKeyNVSLDTPJZGEVGR-UHFFFAOYSA-N
XLogP1.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole (CID 106956356) is 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole is ClCc1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
The InChIKey is NVSLDTPJZGEVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-6-7-10-11-8(13-7)12-4-2-1-3-5-12/h1-6H2.
What are the key properties of 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole?
2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole has a molecular weight of 201.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 106956356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).