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

C14H11N3OS — CID 25055628

IUPAC2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCSc1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H11N3OS/c1-19-12-6-4-10(5-7-12)13-16-17-14(18-13)11-3-2-8-15-9-11/h2-9H,1H3
InChIKeyVVTFRTLXPWZXHE-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.52
Rot. Bonds3

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

2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 25055628) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID25055628
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCSc1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H11N3OS/c1-19-12-6-4-10(5-7-12)13-16-17-14(18-13)11-3-2-8-15-9-11/h2-9H,1H3
InChIKeyVVTFRTLXPWZXHE-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 25055628) is 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is CSc1ccc(-c2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is VVTFRTLXPWZXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-19-12-6-4-10(5-7-12)13-16-17-14(18-13)11-3-2-8-15-9-11/h2-9H,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-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 2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 25055628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).