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

C17H8F6N4O — CID 57392979

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H8F6N4O/c18-16(19,20)11-4-9(5-12(6-11)17(21,22)23)15-25-14(27-28-15)8-1-2-13-10(3-8)7-24-26-13/h1-7H,(H,24,26)
InChIKeyRUYPRVGBSMQYQJ-UHFFFAOYSA-N
MW398.27 g/mol
LogP5.32
Rot. Bonds2

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

5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole (PubChem CID 57392979) has the molecular formula C17H8F6N4O and a molecular weight of 398.27 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
PubChem CID57392979
Molecular FormulaC17H8F6N4O
Molecular Weight398.27 g/mol
Exact Mass398.06
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H8F6N4O/c18-16(19,20)11-4-9(5-12(6-11)17(21,22)23)15-25-14(27-28-15)8-1-2-13-10(3-8)7-24-26-13/h1-7H,(H,24,26)
InChIKeyRUYPRVGBSMQYQJ-UHFFFAOYSA-N
XLogP5.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.27
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(1H-Indazol-1-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637357
Methyl 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoate
CID 57391213
4-[5-[5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoic acid
CID 57396479
3-[5-[5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]propanoic acid
CID 57398267
5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 57398268
5-[5-[5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoic acid
CID 57401701
5-[3,5-Bis(trifluoromethyl)phenyl]-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1,2,4-oxadiazole
CID 57403430
5-(3,4-difluorophenyl)-3-(1H-indol-7-yl)-1,2,4-oxadiazole
CID 145993955
3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 46829741
5-(1-cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-3-(1H-indazol-5-yl)-1,2,4-oxadiazole
CID 49834916
5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56945089
Ethyl 3-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-1-yl]propanoate
CID 57391212

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole (CID 57392979) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is RUYPRVGBSMQYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F6N4O/c18-16(19,20)11-4-9(5-12(6-11)17(21,22)23)15-25-14(27-28-15)8-1-2-13-10(3-8)7-24-26-13/h1-7H,(H,24,26).
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole?
5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 398.27 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-indazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 57392979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).