2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole

C10H16ClN3O — CID 106956310

IUPAC2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
SMILESCC1CCCCN1c1nnc(CCCl)o1
InChIInChI=1S/C10H16ClN3O/c1-8-4-2-3-7-14(8)10-13-12-9(15-10)5-6-11/h8H,2-7H2,1H3
InChIKeyJQJALJZYFQFETI-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole (PubChem CID 106956310) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
PubChem CID106956310
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
SMILESCC1CCCCN1c1nnc(CCCl)o1
InChIInChI=1S/C10H16ClN3O/c1-8-4-2-3-7-14(8)10-13-12-9(15-10)5-6-11/h8H,2-7H2,1H3
InChIKeyJQJALJZYFQFETI-UHFFFAOYSA-N
XLogP2.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
N-[[5-(2-methylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 106969669
2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106958626
[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
CID 106958218
2-(2-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106956316
2-(2-chloroethyl)-5-(2,6-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106957832
2-(chloromethyl)-5-(2-propylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106958331
1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
CID 106959217
2-[5-(2,5-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962581
[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106956508
2-(2-chloroethyl)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3,4-oxadiazole
CID 106958049
2-(2-chloroethyl)-5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazole
CID 106958438

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole (CID 106956310) is 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole is CC1CCCCN1c1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole?
The InChIKey is JQJALJZYFQFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-4-2-3-7-14(8)10-13-12-9(15-10)5-6-11/h8H,2-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole has a molecular weight of 229.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 106956310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).