5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

C17H15ClN2O3 — CID 885760

IUPAC5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(C)cc3Cl)n2)cc1OC
InChIInChI=1S/C17H15ClN2O3/c1-10-4-6-12(13(18)8-10)17-19-16(20-23-17)11-5-7-14(21-2)15(9-11)22-3/h4-9H,1-3H3
InChIKeyVLOWCGWDFQVFIX-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.38
Rot. Bonds4

About 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 885760) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID885760
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(C)cc3Cl)n2)cc1OC
InChIInChI=1S/C17H15ClN2O3/c1-10-4-6-12(13(18)8-10)17-19-16(20-23-17)11-5-7-14(21-2)15(9-11)22-3/h4-9H,1-3H3
InChIKeyVLOWCGWDFQVFIX-UHFFFAOYSA-N
XLogP4.38
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 803562
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 883674
5-(3,4-Diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 3156036
5-(3-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 655985
5-(3-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666646
5-(3,4-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 666991
5-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 716459
3-(4-Methoxybenzyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 817371
5-(2-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 892627
5-(2,3-Dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 912353

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CID 885760) is 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccc(C)cc3Cl)n2)cc1OC.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is VLOWCGWDFQVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-4-6-12(13(18)8-10)17-19-16(20-23-17)11-5-7-14(21-2)15(9-11)22-3/h4-9H,1-3H3.
What are the key properties of 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 330.77 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 885760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).