5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C16H15N3OS — CID 2977455

IUPAC5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(SC(C)c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C16H15N3OS/c1-11-5-7-14(8-6-11)21-12(2)16-18-15(19-20-16)13-4-3-9-17-10-13/h3-10,12H,1-2H3
InChIKeyFVDMVUKTKDYNSY-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.29
Rot. Bonds4

About 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 2977455) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID2977455
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccc(SC(C)c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C16H15N3OS/c1-11-5-7-14(8-6-11)21-12(2)16-18-15(19-20-16)13-4-3-9-17-10-13/h3-10,12H,1-2H3
InChIKeyFVDMVUKTKDYNSY-UHFFFAOYSA-N
XLogP4.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 2977455) is 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccc(SC(C)c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FVDMVUKTKDYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-5-7-14(8-6-11)21-12(2)16-18-15(19-20-16)13-4-3-9-17-10-13/h3-10,12H,1-2H3.
What are the key properties of 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 297.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2977455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).