5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole

C11H10Cl2N2O2 — CID 134040196

IUPAC5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N2O2/c1-6(11-14-7(2)15-17-11)16-8-3-4-9(12)10(13)5-8/h3-6H,1-2H3
InChIKeyXVVKAOFHDSTNGS-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.82
Rot. Bonds3

About 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole

5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 134040196) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID134040196
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N2O2/c1-6(11-14-7(2)15-17-11)16-8-3-4-9(12)10(13)5-8/h3-6H,1-2H3
InChIKeyXVVKAOFHDSTNGS-UHFFFAOYSA-N
XLogP3.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95306662
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960391
3-bromo-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 112571524
5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 3061070
2-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62228931
2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 15090951
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 47155540

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole (CID 134040196) is 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C(C)Oc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XVVKAOFHDSTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-6(11-14-7(2)15-17-11)16-8-3-4-9(12)10(13)5-8/h3-6H,1-2H3.
What are the key properties of 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 273.12 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 134040196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).