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

C13H13Cl2N3O2 — CID 107917941

IUPAC3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1cc(Cl)cc(-c2noc(CC3COCCN3)n2)c1
InChIInChI=1S/C13H13Cl2N3O2/c14-9-3-8(4-10(15)5-9)13-17-12(20-18-13)6-11-7-19-2-1-16-11/h3-5,11,16H,1-2,6-7H2
InChIKeyKHGUFNKXQNAXJK-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.57
Rot. Bonds3

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

3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 107917941) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID107917941
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESClc1cc(Cl)cc(-c2noc(CC3COCCN3)n2)c1
InChIInChI=1S/C13H13Cl2N3O2/c14-9-3-8(4-10(15)5-9)13-17-12(20-18-13)6-11-7-19-2-1-16-11/h3-5,11,16H,1-2,6-7H2
InChIKeyKHGUFNKXQNAXJK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 82800313
3-[[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 106950876
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 104880695
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea
CID 167892244
3-(3,5-dichlorophenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 104880665
3-[[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 115997657
4-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631723
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
5-(thiomorpholin-3-ylmethyl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 66445248
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 107917772
3-(3-bromo-5-fluorophenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 66425591

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 107917941) is 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is Clc1cc(Cl)cc(-c2noc(CC3COCCN3)n2)c1.
What is the InChIKey of 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is KHGUFNKXQNAXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c14-9-3-8(4-10(15)5-9)13-17-12(20-18-13)6-11-7-19-2-1-16-11/h3-5,11,16H,1-2,6-7H2.
What are the key properties of 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
3-[[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 3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 107917941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).