5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

C11H10F3N3O2 — CID 2727194

IUPAC5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1nn(-c2ncccc2C(F)(F)F)c(=O)o1
InChIInChI=1S/C11H10F3N3O2/c1-6(2)9-16-17(10(18)19-9)8-7(11(12,13)14)4-3-5-15-8/h3-6H,1-2H3
InChIKeyABZVAAAVIMFXRE-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.36
Rot. Bonds2

About 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (PubChem CID 2727194) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
PubChem CID2727194
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1nn(-c2ncccc2C(F)(F)F)c(=O)o1
InChIInChI=1S/C11H10F3N3O2/c1-6(2)9-16-17(10(18)19-9)8-7(11(12,13)14)4-3-5-15-8/h3-6H,1-2H3
InChIKeyABZVAAAVIMFXRE-UHFFFAOYSA-N
XLogP2.36
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (CID 2727194) is 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is CC(C)c1nn(-c2ncccc2C(F)(F)F)c(=O)o1.
What is the InChIKey of 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The InChIKey is ABZVAAAVIMFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-6(2)9-16-17(10(18)19-9)8-7(11(12,13)14)4-3-5-15-8/h3-6H,1-2H3.
What are the key properties of 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).