5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C21H16ClN3O2 — CID 2005312

IUPAC5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H16ClN3O2/c1-2-26-21-17(12-13-18(23-21)14-6-4-3-5-7-14)19-24-20(27-25-19)15-8-10-16(22)11-9-15/h3-13H,2H2,1H3
InChIKeyHDLRRNAWWKFSSS-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.52
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 2005312) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID2005312
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H16ClN3O2/c1-2-26-21-17(12-13-18(23-21)14-6-4-3-5-7-14)19-24-20(27-25-19)15-8-10-16(22)11-9-15/h3-13H,2H2,1H3
InChIKeyHDLRRNAWWKFSSS-UHFFFAOYSA-N
XLogP5.52
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913863
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 913867
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 913860
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 2005312) is 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HDLRRNAWWKFSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-2-26-21-17(12-13-18(23-21)14-6-4-3-5-7-14)19-24-20(27-25-19)15-8-10-16(22)11-9-15/h3-13H,2H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 377.83 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2005312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).