5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C18H11F4N3O — CID 155545858

IUPAC5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N3O/c19-11-5-6-13(14(8-11)18(20,21)22)17-24-16(25-26-17)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,23H,7H2
InChIKeyNPDOYAKZWDIPAK-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.97
Rot. Bonds3

About 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155545858) has the molecular formula C18H11F4N3O and a molecular weight of 361.30 g/mol. Its IUPAC name is 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID155545858
Molecular FormulaC18H11F4N3O
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC Name5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N3O/c19-11-5-6-13(14(8-11)18(20,21)22)17-24-16(25-26-17)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,23H,7H2
InChIKeyNPDOYAKZWDIPAK-UHFFFAOYSA-N
XLogP4.97
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 155545858) is 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(C(F)(F)F)c1.
What is the InChIKey of 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NPDOYAKZWDIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O/c19-11-5-6-13(14(8-11)18(20,21)22)17-24-16(25-26-17)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,23H,7H2.
What are the key properties of 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 361.30 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(trifluoromethyl)phenyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155545858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).