3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C25H25N3O6 — CID 663593

IUPAC3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C25H25N3O6/c1-6-33-25-18(11-12-19(26-25)15-7-9-17(29-2)10-8-15)23-27-24(34-28-23)16-13-20(30-3)22(32-5)21(14-16)31-4/h7-14H,6H2,1-5H3
InChIKeyJQUXVJHQRJLEFG-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.90
Rot. Bonds9

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

3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 663593) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID663593
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C25H25N3O6/c1-6-33-25-18(11-12-19(26-25)15-7-9-17(29-2)10-8-15)23-27-24(34-28-23)16-13-20(30-3)22(32-5)21(14-16)31-4/h7-14H,6H2,1-5H3
InChIKeyJQUXVJHQRJLEFG-UHFFFAOYSA-N
XLogP4.90
TPSA97.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

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
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
3,4,5-trimethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4973003
3-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 976282
2-(4-methoxyphenyl)-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3240741
5-(3,4-Dimethoxyphenyl)-3-(2-ethoxy-6-phenylpyridin-3-yl)-1,2,4-oxadiazole
CID 649151

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 663593) is 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JQUXVJHQRJLEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-6-33-25-18(11-12-19(26-25)15-7-9-17(29-2)10-8-15)23-27-24(34-28-23)16-13-20(30-3)22(32-5)21(14-16)31-4/h7-14H,6H2,1-5H3.
What are the key properties of 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 463.49 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 663593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).