4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C13H13Cl2N3O2 — CID 2743046

IUPAC4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1cccc(Cl)c1-c1noc(CN2CCOCC2)n1
InChIInChI=1S/C13H13Cl2N3O2/c14-9-2-1-3-10(15)12(9)13-16-11(20-17-13)8-18-4-6-19-7-5-18/h1-3H,4-8H2
InChIKeyXZNUONVYFXJXMV-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.88
Rot. Bonds3

About 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 2743046) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID2743046
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1cccc(Cl)c1-c1noc(CN2CCOCC2)n1
InChIInChI=1S/C13H13Cl2N3O2/c14-9-2-1-3-10(15)12(9)13-16-11(20-17-13)8-18-4-6-19-7-5-18/h1-3H,4-8H2
InChIKeyXZNUONVYFXJXMV-UHFFFAOYSA-N
XLogP2.88
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 2743046) is 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is Clc1cccc(Cl)c1-c1noc(CN2CCOCC2)n1.
What is the InChIKey of 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is XZNUONVYFXJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c14-9-2-1-3-10(15)12(9)13-16-11(20-17-13)8-18-4-6-19-7-5-18/h1-3H,4-8H2.
What are the key properties of 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 314.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 2743046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).