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

C13H13Cl2N3O2 — CID 104880695

IUPAC2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1cc(Cl)cc(-c2noc(CC3CNCCO3)n2)c1
InChIInChI=1S/C13H13Cl2N3O2/c14-9-3-8(4-10(15)5-9)13-17-12(20-18-13)6-11-7-16-1-2-19-11/h3-5,11,16H,1-2,6-7H2
InChIKeyWZCANWSCYQGVGO-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.57
Rot. Bonds3

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

2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 104880695) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID104880695
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1cc(Cl)cc(-c2noc(CC3CNCCO3)n2)c1
InChIInChI=1S/C13H13Cl2N3O2/c14-9-3-8(4-10(15)5-9)13-17-12(20-18-13)6-11-7-16-1-2-19-11/h3-5,11,16H,1-2,6-7H2
InChIKeyWZCANWSCYQGVGO-UHFFFAOYSA-N
XLogP2.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 104880695) is 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is Clc1cc(Cl)cc(-c2noc(CC3CNCCO3)n2)c1.
What is the InChIKey of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is WZCANWSCYQGVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c14-9-3-8(4-10(15)5-9)13-17-12(20-18-13)6-11-7-16-1-2-19-11/h3-5,11,16H,1-2,6-7H2.
What are the key properties of 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 314.17 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 104880695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).