4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine

C11H18ClN3O2 — CID 106957312

IUPAC4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nnc(C(C)Cl)o1
InChIInChI=1S/C11H18ClN3O2/c1-4-9-6-16-7(2)5-15(9)11-14-13-10(17-11)8(3)12/h7-9H,4-6H2,1-3H3
InChIKeyOLMUFJMFVIMWLT-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.37
Rot. Bonds3

About 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine

4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine (PubChem CID 106957312) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine
PubChem CID106957312
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nnc(C(C)Cl)o1
InChIInChI=1S/C11H18ClN3O2/c1-4-9-6-16-7(2)5-15(9)11-14-13-10(17-11)8(3)12/h7-9H,4-6H2,1-3H3
InChIKeyOLMUFJMFVIMWLT-UHFFFAOYSA-N
XLogP2.37
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106958625
6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 80653171
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
4-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 113380680
(1R)-1-[5-(5-ethyl-2-methylmorpholin-4-yl)-2-pyridinyl]ethanamine
CID 83122410
4-[6-(chloromethyl)-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 62254121
[3-(5-ethyl-2-methylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80507485
N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544974
3,5-dichloro-6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 102756606
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 61424244
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine (CID 106957312) is 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1nnc(C(C)Cl)o1.
What is the InChIKey of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine?
The InChIKey is OLMUFJMFVIMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-9-6-16-7(2)5-15(9)11-14-13-10(17-11)8(3)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine?
4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine has a molecular weight of 259.74 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 106957312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).