2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole

C20H16F3N3O — CID 26842280

IUPAC2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc3ccccc3n2Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H16F3N3O/c1-2-18-24-25-19(27-18)17-11-14-7-3-4-9-16(14)26(17)12-13-6-5-8-15(10-13)20(21,22)23/h3-11H,2,12H2,1H3
InChIKeyDBEDCRNURHFFIP-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.32
Rot. Bonds4

About 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole

2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole (PubChem CID 26842280) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole
PubChem CID26842280
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc3ccccc3n2Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H16F3N3O/c1-2-18-24-25-19(27-18)17-11-14-7-3-4-9-16(14)26(17)12-13-6-5-8-15(10-13)20(21,22)23/h3-11H,2,12H2,1H3
InChIKeyDBEDCRNURHFFIP-UHFFFAOYSA-N
XLogP5.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole (CID 26842280) is 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole is CCc1nnc(-c2cc3ccccc3n2Cc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole?
The InChIKey is DBEDCRNURHFFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-2-18-24-25-19(27-18)17-11-14-7-3-4-9-16(14)26(17)12-13-6-5-8-15(10-13)20(21,22)23/h3-11H,2,12H2,1H3.
What are the key properties of 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole?
2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole has a molecular weight of 371.36 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 26842280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).