5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole

C9H15ClN2O3 — CID 102926413

IUPAC5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
SMILESCOCCOCCc1noc(C(C)Cl)n1
InChIInChI=1S/C9H15ClN2O3/c1-7(10)9-11-8(12-15-9)3-4-14-6-5-13-2/h7H,3-6H2,1-2H3
InChIKeyAVNFSYKLOSWBGU-UHFFFAOYSA-N
MW234.68 g/mol
LogP1.57
Rot. Bonds7

About 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole

5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 102926413) has the molecular formula C9H15ClN2O3 and a molecular weight of 234.68 g/mol. Its IUPAC name is 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
PubChem CID102926413
Molecular FormulaC9H15ClN2O3
Molecular Weight234.68 g/mol
Exact Mass234.08
IUPAC Name5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
SMILESCOCCOCCc1noc(C(C)Cl)n1
InChIInChI=1S/C9H15ClN2O3/c1-7(10)9-11-8(12-15-9)3-4-14-6-5-13-2/h7H,3-6H2,1-2H3
InChIKeyAVNFSYKLOSWBGU-UHFFFAOYSA-N
XLogP1.57
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole (CID 102926413) is 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole is COCCOCCc1noc(C(C)Cl)n1.
What is the InChIKey of 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is AVNFSYKLOSWBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3/c1-7(10)9-11-8(12-15-9)3-4-14-6-5-13-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole?
5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 234.68 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102926413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).