3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole

C15H14N4O2S — CID 97089615

IUPAC3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc([C@@H](C)Sc3ccccn3)n2)ccn1
InChIInChI=1S/C15H14N4O2S/c1-10(22-13-5-3-4-7-17-13)15-18-14(19-21-15)11-6-8-16-12(9-11)20-2/h3-10H,1-2H3/t10-/m1/s1
InChIKeySVKDSWHEKXZHJO-SNVBAGLBSA-N
MW314.37 g/mol
LogP3.39
Rot. Bonds5

About 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole

3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole (PubChem CID 97089615) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
PubChem CID97089615
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc([C@@H](C)Sc3ccccn3)n2)ccn1
InChIInChI=1S/C15H14N4O2S/c1-10(22-13-5-3-4-7-17-13)15-18-14(19-21-15)11-6-8-16-12(9-11)20-2/h3-10H,1-2H3/t10-/m1/s1
InChIKeySVKDSWHEKXZHJO-SNVBAGLBSA-N
XLogP3.39
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole
CID 51932779
3-(1-ethoxyethyl)-5-(1-pyridin-2-ylsulfanylethyl)-1,2,4-oxadiazole
CID 71917714
3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 95907164
5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 75483087
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole
CID 146420394
2-(4-methylphenyl)-5-[(1S)-1-pyridin-2-ylsulfanylethyl]-1,3,4-oxadiazole
CID 51928517
3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole
CID 100611843
3-(3-methoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 41299285
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2233921
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 46544196
1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 86801623

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole (CID 97089615) is 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole is COc1cc(-c2noc([C@@H](C)Sc3ccccn3)n2)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is SVKDSWHEKXZHJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10(22-13-5-3-4-7-17-13)15-18-14(19-21-15)11-6-8-16-12(9-11)20-2/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole?
3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 314.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-5-[(1R)-1-pyridin-2-ylsulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97089615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).