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

C27H29N3O6 — CID 2018317

IUPAC3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccc(-c4ccc(OC)cc4)nc3OC)no2)cc(OCC)c1OCC
InChIInChI=1S/C27H29N3O6/c1-6-33-22-15-18(16-23(34-7-2)24(22)35-8-3)26-29-25(30-36-26)20-13-14-21(28-27(20)32-5)17-9-11-19(31-4)12-10-17/h9-16H,6-8H2,1-5H3
InChIKeyWCECNFURJGAWMC-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.68
Rot. Bonds11

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

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2018317) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
PubChem CID2018317
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccc(-c4ccc(OC)cc4)nc3OC)no2)cc(OCC)c1OCC
InChIInChI=1S/C27H29N3O6/c1-6-33-22-15-18(16-23(34-7-2)24(22)35-8-3)26-29-25(30-36-26)20-13-14-21(28-27(20)32-5)17-9-11-19(31-4)12-10-17/h9-16H,6-8H2,1-5H3
InChIKeyWCECNFURJGAWMC-UHFFFAOYSA-N
XLogP5.68
TPSA97.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-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
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
3,4,5-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-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (CID 2018317) is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3ccc(-c4ccc(OC)cc4)nc3OC)no2)cc(OCC)c1OCC.
What is the InChIKey of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WCECNFURJGAWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-6-33-22-15-18(16-23(34-7-2)24(22)35-8-3)26-29-25(30-36-26)20-13-14-21(28-27(20)32-5)17-9-11-19(31-4)12-10-17/h9-16H,6-8H2,1-5H3.
What are the key properties of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 491.54 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2018317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).