5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

C16H9F4N5OS — CID 31614160

IUPAC5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc4ccc(C(F)(F)F)cn34)no2)cc1
InChIInChI=1S/C16H9F4N5OS/c17-11-4-1-9(2-5-11)14-21-12(24-26-14)8-27-15-23-22-13-6-3-10(7-25(13)15)16(18,19)20/h1-7H,8H2
InChIKeyMHGLTZPOTGMWDB-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.23
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 31614160) has the molecular formula C16H9F4N5OS and a molecular weight of 395.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID31614160
Molecular FormulaC16H9F4N5OS
Molecular Weight395.34 g/mol
Exact Mass395.05
IUPAC Name5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(CSc3nnc4ccc(C(F)(F)F)cn34)no2)cc1
InChIInChI=1S/C16H9F4N5OS/c17-11-4-1-9(2-5-11)14-21-12(24-26-14)8-27-15-23-22-13-6-3-10(7-25(13)15)16(18,19)20/h1-7H,8H2
InChIKeyMHGLTZPOTGMWDB-UHFFFAOYSA-N
XLogP4.23
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 24669216
2-(2-bromophenyl)-5-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 31611029
3-[(2,4-dichlorophenyl)methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 31609642
2-methyl-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propan-2-ol
CID 110932451
3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 37326798
5-(4-chlorophenyl)-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 35498960
N-(5-methyl-1,2-oxazol-3-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31611068
5-(4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531671
1-[5-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N,N-dimethylethanamine
CID 42948953
5-(4-fluorophenyl)-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 37283449
2-(3-methoxyphenyl)-4-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,3-thiazole
CID 38463358
3-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 10387366

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 31614160) is 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccc(-c2nc(CSc3nnc4ccc(C(F)(F)F)cn34)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is MHGLTZPOTGMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N5OS/c17-11-4-1-9(2-5-11)14-21-12(24-26-14)8-27-15-23-22-13-6-3-10(7-25(13)15)16(18,19)20/h1-7H,8H2.
What are the key properties of 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 395.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 31614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).