5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one

C11H6F3N3O2 — CID 162536103

IUPAC5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2c[nH]c3cc(C(F)(F)F)ccc23)o1
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)5-1-2-6-7(4-15-8(6)3-5)9-16-17-10(18)19-9/h1-4,15H,(H,17,18)
InChIKeySBIMLWGRWZYYNE-UHFFFAOYSA-N
MW269.18 g/mol
LogP2.53
Rot. Bonds1

About 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 162536103) has the molecular formula C11H6F3N3O2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID162536103
Molecular FormulaC11H6F3N3O2
Molecular Weight269.18 g/mol
Exact Mass269.04
IUPAC Name5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2c[nH]c3cc(C(F)(F)F)ccc23)o1
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)5-1-2-6-7(4-15-8(6)3-5)9-16-17-10(18)19-9/h1-4,15H,(H,17,18)
InChIKeySBIMLWGRWZYYNE-UHFFFAOYSA-N
XLogP2.53
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 162536103) is 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2c[nH]c3cc(C(F)(F)F)ccc23)o1.
What is the InChIKey of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SBIMLWGRWZYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O2/c12-11(13,14)5-1-2-6-7(4-15-8(6)3-5)9-16-17-10(18)19-9/h1-4,15H,(H,17,18).
What are the key properties of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 269.18 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162536103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).