5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C17H10F3N3O2 — CID 155511009

IUPAC5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)24-13-4-1-10(2-5-13)15-22-16(25-23-15)12-3-6-14-11(9-12)7-8-21-14/h1-9,21H
InChIKeyACGMZWBACURWPY-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.78
Rot. Bonds3

About 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 155511009) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID155511009
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)24-13-4-1-10(2-5-13)15-22-16(25-23-15)12-3-6-14-11(9-12)7-8-21-14/h1-9,21H
InChIKeyACGMZWBACURWPY-UHFFFAOYSA-N
XLogP4.78
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 155511009) is 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is ACGMZWBACURWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-17(19,20)24-13-4-1-10(2-5-13)15-22-16(25-23-15)12-3-6-14-11(9-12)7-8-21-14/h1-9,21H.
What are the key properties of 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 345.28 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155511009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).