5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

C21H16ClN3O3 — CID 2017608

IUPAC5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)c(OC)n2)cc1
InChIInChI=1S/C21H16ClN3O3/c1-26-14-9-7-13(8-10-14)18-12-11-16(20(23-18)27-2)19-24-21(28-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3
InChIKeyFYCVFZCTHZPIFX-UHFFFAOYSA-N
MW393.83 g/mol
LogP5.14
Rot. Bonds5

About 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 2017608) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID2017608
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)c(OC)n2)cc1
InChIInChI=1S/C21H16ClN3O3/c1-26-14-9-7-13(8-10-14)18-12-11-16(20(23-18)27-2)19-24-21(28-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3
InChIKeyFYCVFZCTHZPIFX-UHFFFAOYSA-N
XLogP5.14
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.83
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 664211
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 1297936
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
5-(2-bromophenyl)-3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2029273
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 913867
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 2017608) is 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)c(OC)n2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is FYCVFZCTHZPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-26-14-9-7-13(8-10-14)18-12-11-16(20(23-18)27-2)19-24-21(28-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 393.83 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2017608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).