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

C19H15N3O3S — CID 664482

IUPAC3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1
InChIInChI=1S/C19H15N3O3S/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(25-22-17)16-4-3-11-26-16/h3-11H,1-2H3
InChIKeyGQHGWPONPVBJDF-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.54
Rot. Bonds5

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

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 664482) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID664482
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1
InChIInChI=1S/C19H15N3O3S/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(25-22-17)16-4-3-11-26-16/h3-11H,1-2H3
InChIKeyGQHGWPONPVBJDF-UHFFFAOYSA-N
XLogP4.54
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 664482) is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1.
What is the InChIKey of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GQHGWPONPVBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-23-13-7-5-12(6-8-13)15-10-9-14(18(20-15)24-2)17-21-19(25-22-17)16-4-3-11-26-16/h3-11H,1-2H3.
What are the key properties of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 365.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 664482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).