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

C15H13N3OS — CID 974714

IUPAC5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(SCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3OS/c1-11-5-7-12(8-6-11)20-10-14-17-15(18-19-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKeyPIZBEYRLYBNTOW-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.73
Rot. Bonds4

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

5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 974714) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID974714
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(SCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3OS/c1-11-5-7-12(8-6-11)20-10-14-17-15(18-19-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKeyPIZBEYRLYBNTOW-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 974714) is 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(SCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is PIZBEYRLYBNTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-5-7-12(8-6-11)20-10-14-17-15(18-19-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 974714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).