3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole

C18H17ClN2O2 — CID 19658029

IUPAC3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(OC(C)c2nc(-c3ccc(Cl)cc3)no2)cc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-4-9-16(10-12(11)2)22-13(3)18-20-17(21-23-18)14-5-7-15(19)8-6-14/h4-10,13H,1-3H3
InChIKeyFHEBOAOGEUDFTJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.15
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 19658029) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
PubChem CID19658029
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(OC(C)c2nc(-c3ccc(Cl)cc3)no2)cc1C
InChIInChI=1S/C18H17ClN2O2/c1-11-4-9-16(10-12(11)2)22-13(3)18-20-17(21-23-18)14-5-7-15(19)8-6-14/h4-10,13H,1-3H3
InChIKeyFHEBOAOGEUDFTJ-UHFFFAOYSA-N
XLogP5.15
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[(1R)-1-(4-bromophenoxy)ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1294361
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 673198
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112815966
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole (CID 19658029) is 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole is Cc1ccc(OC(C)c2nc(-c3ccc(Cl)cc3)no2)cc1C.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is FHEBOAOGEUDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-4-9-16(10-12(11)2)22-13(3)18-20-17(21-23-18)14-5-7-15(19)8-6-14/h4-10,13H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 328.80 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 19658029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).