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

C23H21N3O4 — CID 649151

IUPAC5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C23H21N3O4/c1-4-29-23-17(11-12-18(24-23)15-8-6-5-7-9-15)21-25-22(30-26-21)16-10-13-19(27-2)20(14-16)28-3/h5-14H,4H2,1-3H3
InChIKeyKENAQBPHRWJFLG-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.88
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 649151) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID649151
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C23H21N3O4/c1-4-29-23-17(11-12-18(24-23)15-8-6-5-7-9-15)21-25-22(30-26-21)16-10-13-19(27-2)20(14-16)28-3/h5-14H,4H2,1-3H3
InChIKeyKENAQBPHRWJFLG-UHFFFAOYSA-N
XLogP4.88
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

Cenerimod
CID 49871973
Cym5181
CID 976135
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
2-Methoxy-6-methyl-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091863
2-Methoxy-6-(4-methylphenyl)-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2000144
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2018317
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 2021036
2-Methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 4034528
N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-pyridinecarboxamide
CID 4457834
3-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 976282

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 649151) is 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is KENAQBPHRWJFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-4-29-23-17(11-12-18(24-23)15-8-6-5-7-9-15)21-25-22(30-26-21)16-10-13-19(27-2)20(14-16)28-3/h5-14H,4H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 403.44 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 649151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).