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

C27H29N3O5 — CID 2000144

IUPAC3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccc(-c4ccc(C)cc4)nc3OC)no2)cc(OCC)c1OCC
InChIInChI=1S/C27H29N3O5/c1-6-32-22-15-19(16-23(33-7-2)24(22)34-8-3)26-29-25(30-35-26)20-13-14-21(28-27(20)31-5)18-11-9-17(4)10-12-18/h9-16H,6-8H2,1-5H3
InChIKeyOFYZQYAMWGFFBD-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.98
Rot. Bonds10

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

3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2000144) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
PubChem CID2000144
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccc(-c4ccc(C)cc4)nc3OC)no2)cc(OCC)c1OCC
InChIInChI=1S/C27H29N3O5/c1-6-32-22-15-19(16-23(33-7-2)24(22)34-8-3)26-29-25(30-35-26)20-13-14-21(28-27(20)31-5)18-11-9-17(4)10-12-18/h9-16H,6-8H2,1-5H3
InChIKeyOFYZQYAMWGFFBD-UHFFFAOYSA-N
XLogP5.98
TPSA88.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-methoxy-6-(4-methylphenyl)-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-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
2-Ethoxy-6-(4-methoxyphenyl)-3-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663593

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (CID 2000144) is 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3ccc(-c4ccc(C)cc4)nc3OC)no2)cc(OCC)c1OCC.
What is the InChIKey of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is OFYZQYAMWGFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-6-32-22-15-19(16-23(33-7-2)24(22)34-8-3)26-29-25(30-35-26)20-13-14-21(28-27(20)31-5)18-11-9-17(4)10-12-18/h9-16H,6-8H2,1-5H3.
What are the key properties of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 475.55 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2000144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).