3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline

C17H15Cl2N3O2 — CID 42692318

IUPAC3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H15Cl2N3O2/c1-22(2)12-4-3-5-13(9-12)23-10-16-20-17(24-21-16)14-7-6-11(18)8-15(14)19/h3-9H,10H2,1-2H3
InChIKeyOIJXTWTWJKEDCC-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.69
Rot. Bonds5

About 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline

3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline (PubChem CID 42692318) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
PubChem CID42692318
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H15Cl2N3O2/c1-22(2)12-4-3-5-13(9-12)23-10-16-20-17(24-21-16)14-7-6-11(18)8-15(14)19/h3-9H,10H2,1-2H3
InChIKeyOIJXTWTWJKEDCC-UHFFFAOYSA-N
XLogP4.69
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42692356
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
5-(2-chlorophenyl)-3-[(3-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 38900817
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 42788974
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
5-chloro-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79077569

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline (CID 42692318) is 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCc2noc(-c3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline?
The InChIKey is OIJXTWTWJKEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-22(2)12-4-3-5-13(9-12)23-10-16-20-17(24-21-16)14-7-6-11(18)8-15(14)19/h3-9H,10H2,1-2H3.
What are the key properties of 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline?
3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline has a molecular weight of 364.23 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 42692318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).