5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C15H13N3OS — CID 6462894

IUPAC5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCSc1ccccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C15H13N3OS/c1-2-20-13-6-4-3-5-12(13)15-17-14(18-19-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3
InChIKeyKRCRBNNYPDEHKO-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.91
Rot. Bonds4

About 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 6462894) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID6462894
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCSc1ccccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C15H13N3OS/c1-2-20-13-6-4-3-5-12(13)15-17-14(18-19-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3
InChIKeyKRCRBNNYPDEHKO-UHFFFAOYSA-N
XLogP3.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11998180
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CID 763855
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CID 3156022
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CID 6463470
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CID 9881610
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CID 867088
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CID 132541861
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CID 155549090
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CID 877063

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 6462894) is 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCSc1ccccc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is KRCRBNNYPDEHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-20-13-6-4-3-5-12(13)15-17-14(18-19-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3.
What are the key properties of 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 6462894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).