3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole

C17H13F3N6OS — CID 55409485

IUPAC3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nnn(CCCc3nc(-c4cccs4)no3)n2)c1
InChIInChI=1S/C17H13F3N6OS/c18-17(19,20)12-5-1-4-11(10-12)15-22-25-26(23-15)8-2-7-14-21-16(24-27-14)13-6-3-9-28-13/h1,3-6,9-10H,2,7-8H2
InChIKeyXKCFXUILWOEBAR-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.10
Rot. Bonds6

About 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole

3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole (PubChem CID 55409485) has the molecular formula C17H13F3N6OS and a molecular weight of 406.39 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole
PubChem CID55409485
Molecular FormulaC17H13F3N6OS
Molecular Weight406.39 g/mol
Exact Mass406.08
IUPAC Name3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2nnn(CCCc3nc(-c4cccs4)no3)n2)c1
InChIInChI=1S/C17H13F3N6OS/c18-17(19,20)12-5-1-4-11(10-12)15-22-25-26(23-15)8-2-7-14-21-16(24-27-14)13-6-3-9-28-13/h1,3-6,9-10H,2,7-8H2
InChIKeyXKCFXUILWOEBAR-UHFFFAOYSA-N
XLogP4.10
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 97022831
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]triazol-4-yl]methanamine
CID 62056013
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
3-(2-thiophen-2-ylethyl)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 95916832
2-methyl-7-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155945436
3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propoxy]aniline
CID 61036000
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
2-(2-ethoxyethyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
CID 78788558

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole (CID 55409485) is 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2nnn(CCCc3nc(-c4cccs4)no3)n2)c1.
What is the InChIKey of 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole?
The InChIKey is XKCFXUILWOEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6OS/c18-17(19,20)12-5-1-4-11(10-12)15-22-25-26(23-15)8-2-7-14-21-16(24-27-14)13-6-3-9-28-13/h1,3-6,9-10H,2,7-8H2.
What are the key properties of 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole?
3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole has a molecular weight of 406.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 55409485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).