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

C14H11N3OS — CID 1484241

IUPAC5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCSc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11N3OS/c1-19-12-8-3-2-6-10(12)14-16-13(17-18-14)11-7-4-5-9-15-11/h2-9H,1H3
InChIKeyDNZLPWBQKKMNJA-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.52
Rot. Bonds3

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

5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 1484241) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID1484241
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCSc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11N3OS/c1-19-12-8-3-2-6-10(12)14-16-13(17-18-14)11-7-4-5-9-15-11/h2-9H,1H3
InChIKeyDNZLPWBQKKMNJA-UHFFFAOYSA-N
XLogP3.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 59047177
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
phenyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 43109480

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 1484241) is 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is CSc1ccccc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is DNZLPWBQKKMNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-19-12-8-3-2-6-10(12)14-16-13(17-18-14)11-7-4-5-9-15-11/h2-9H,1H3.
What are the key properties of 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 269.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 1484241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).