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

C15H13N3OS — CID 2219801

IUPAC5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(SCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3OS/c1-11-2-4-13(5-3-11)20-10-14-17-15(18-19-14)12-6-8-16-9-7-12/h2-9H,10H2,1H3
InChIKeyRBXIYNQUDBEIKH-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.73
Rot. Bonds4

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

5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2219801) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2219801
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(SCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3OS/c1-11-2-4-13(5-3-11)20-10-14-17-15(18-19-14)12-6-8-16-9-7-12/h2-9H,10H2,1H3
InChIKeyRBXIYNQUDBEIKH-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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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
5-(Phenylsulfanylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 894766
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
N,4-dimethyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 2202424
4-[5-[2-(Methylthio)phenyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 1486780
3-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine
CID 25192
N,4-dimethyl-N-{[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 848419
3-(5-{[(4-Methylphenyl)sulfanyl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 974713

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2219801) is 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(SCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is RBXIYNQUDBEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-2-4-13(5-3-11)20-10-14-17-15(18-19-14)12-6-8-16-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(4-methylphenyl)sulfanylmethyl]-3-pyridin-4-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-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2219801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).