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

C20H11F3N4OS — CID 141217820

IUPAC3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ncc34)no2)cc1-c1ccccc1
InChIInChI=1S/C20H11F3N4OS/c21-20(22,23)17-13(11-5-2-1-3-6-11)9-16(29-17)19-25-18(27-28-19)12-7-4-8-15-14(12)10-24-26-15/h1-10H,(H,24,26)
InChIKeyHPVCQYIDHONECL-UHFFFAOYSA-N
MW412.40 g/mol
LogP6.03
Rot. Bonds3

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

3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 141217820) has the molecular formula C20H11F3N4OS and a molecular weight of 412.40 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
PubChem CID141217820
Molecular FormulaC20H11F3N4OS
Molecular Weight412.40 g/mol
Exact Mass412.06
IUPAC Name3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ncc34)no2)cc1-c1ccccc1
InChIInChI=1S/C20H11F3N4OS/c21-20(22,23)17-13(11-5-2-1-3-6-11)9-16(29-17)19-25-18(27-28-19)12-7-4-8-15-14(12)10-24-26-15/h1-10H,(H,24,26)
InChIKeyHPVCQYIDHONECL-UHFFFAOYSA-N
XLogP6.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
CID 57392979
3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 46829741
5-(1H-indazol-4-yl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 72138074
N-cyclohexyl-2-[5-(1H-indazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 53559514
4-[4-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 25059942
4-[5-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 25060203
3-(1H-indol-5-yl)-5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazole
CID 25110346
4-{5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}-1H-indole
CID 25110414
Ethyl 4-[4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoate
CID 59316754
Ethyl 4-[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoate
CID 59316771
3-(3-chloro-1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 59318370
4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indol-3-amine
CID 68102299

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole (CID 141217820) is 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ncc34)no2)cc1-c1ccccc1.
What is the InChIKey of 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
The InChIKey is HPVCQYIDHONECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4OS/c21-20(22,23)17-13(11-5-2-1-3-6-11)9-16(29-17)19-25-18(27-28-19)12-7-4-8-15-14(12)10-24-26-15/h1-10H,(H,24,26).
What are the key properties of 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole?
3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 412.40 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 141217820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).