2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

C16H13FN6O2S — CID 17446430

IUPAC2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CSc3nnnn3-c3cccc(F)c3)o2)c(C)o1
InChIInChI=1S/C16H13FN6O2S/c1-9-6-13(10(2)24-9)15-19-18-14(25-15)8-26-16-20-21-22-23(16)12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3
InChIKeyIQMUUGODWGQNBU-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 17446430) has the molecular formula C16H13FN6O2S and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID17446430
Molecular FormulaC16H13FN6O2S
Molecular Weight372.39 g/mol
Exact Mass372.08
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CSc3nnnn3-c3cccc(F)c3)o2)c(C)o1
InChIInChI=1S/C16H13FN6O2S/c1-9-6-13(10(2)24-9)15-19-18-14(25-15)8-26-16-20-21-22-23(16)12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3
InChIKeyIQMUUGODWGQNBU-UHFFFAOYSA-N
XLogP3.35
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 9363094
1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]aniline
CID 43248942
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
CID 18231138
3-(3-chlorophenyl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9399417
2-(2,5-dimethylfuran-3-yl)-5-[(4-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8908221
2-(5-bromofuran-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 112781180
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 33278936
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 113373912
1-(3-methylphenyl)-5-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]tetrazole
CID 60526581

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 17446430) is 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(CSc3nnnn3-c3cccc(F)c3)o2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is IQMUUGODWGQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2S/c1-9-6-13(10(2)24-9)15-19-18-14(25-15)8-26-16-20-21-22-23(16)12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 372.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 17446430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).