5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole

C10H8F3N3OS — CID 47014387

IUPAC5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1nc(CSc2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C10H8F3N3OS/c1-6-15-8(16-17-6)5-18-9-3-2-7(4-14-9)10(11,12)13/h2-4H,5H2,1H3
InChIKeyXGNIDEJJKWMBDO-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.08
Rot. Bonds3

About 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole

5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 47014387) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID47014387
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1nc(CSc2ccc(C(F)(F)F)cn2)no1
InChIInChI=1S/C10H8F3N3OS/c1-6-15-8(16-17-6)5-18-9-3-2-7(4-14-9)10(11,12)13/h2-4H,5H2,1H3
InChIKeyXGNIDEJJKWMBDO-UHFFFAOYSA-N
XLogP3.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{5-[(Phenylthio)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 894766
5-(Phenylsulfanylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 895337
2-(5-{[(4-Methylphenyl)thio]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 974714
2-{5-[(Phenylthio)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 2195556
4-(5-{[(4-Methylphenyl)thio]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 2219801
3-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine
CID 25192
5-[(4-Methylphenyl)sulfanylmethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 974713
3-(5-{1-[(4-Methylphenyl)thio]ethyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 2977455
4-(5-{1-[(4-Methylphenyl)thio]ethyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 2978114
3-(4-Tert-butylphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 2726203
5-Tert-butyl-3-(6-ethylsulfanyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2740803
3-Methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 45865681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole (CID 47014387) is 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1nc(CSc2ccc(C(F)(F)F)cn2)no1.
What is the InChIKey of 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is XGNIDEJJKWMBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-6-15-8(16-17-6)5-18-9-3-2-7(4-14-9)10(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole?
5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 275.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47014387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).