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

C14H11N3OS — CID 894766

IUPAC5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(SCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H11N3OS/c1-2-4-12(5-3-1)19-10-13-16-14(17-18-13)11-6-8-15-9-7-11/h1-9H,10H2
InChIKeyWVSOTBSXFZKNRX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.42
Rot. Bonds4

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

5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 894766) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID894766
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(SCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H11N3OS/c1-2-4-12(5-3-1)19-10-13-16-14(17-18-13)11-6-8-15-9-7-11/h1-9H,10H2
InChIKeyWVSOTBSXFZKNRX-UHFFFAOYSA-N
XLogP3.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 5348455
5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5740237
4-[5-(2-Ethylsulfanyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 6462894
3-{5-[(Phenylsulfanyl)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 895337
2-(5-{[(4-Methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 974714
2-{5-[(Phenylthio)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 2195556
5-[(4-Methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2219801
3-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine
CID 25192
3-(5-{[(4-Methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 974713
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2219907
3-(5-{1-[(4-Methylphenyl)sulfanyl]ethyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 2977455
4-(5-{1-[(4-Methylphenyl)sulfanyl]ethyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 2978114

Frequently Asked Questions

What is the IUPAC name of 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 894766) is 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(SCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is WVSOTBSXFZKNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-2-4-12(5-3-1)19-10-13-16-14(17-18-13)11-6-8-15-9-7-11/h1-9H,10H2.
What are the key properties of 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 269.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 894766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).