4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine

C16H19Cl2N3O2 — CID 162670466

IUPAC4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
SMILESClc1ccc(-c2noc(CCCCN3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O2/c17-12-4-5-13(14(18)11-12)16-19-15(23-20-16)3-1-2-6-21-7-9-22-10-8-21/h4-5,11H,1-3,6-10H2
InChIKeyQOJDIZKPQXLNQR-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.70
Rot. Bonds6

About 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine

4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine (PubChem CID 162670466) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
PubChem CID162670466
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
SMILESClc1ccc(-c2noc(CCCCN3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O2/c17-12-4-5-13(14(18)11-12)16-19-15(23-20-16)3-1-2-6-21-7-9-22-10-8-21/h4-5,11H,1-3,6-10H2
InChIKeyQOJDIZKPQXLNQR-UHFFFAOYSA-N
XLogP3.70
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
The IUPAC name of 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine (CID 162670466) is 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine is Clc1ccc(-c2noc(CCCCN3CCOCC3)n2)c(Cl)c1.
What is the InChIKey of 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
The InChIKey is QOJDIZKPQXLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-12-4-5-13(14(18)11-12)16-19-15(23-20-16)3-1-2-6-21-7-9-22-10-8-21/h4-5,11H,1-3,6-10H2.
What are the key properties of 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine?
4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine has a molecular weight of 356.25 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine is sourced from PubChem (CID 162670466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).