3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C10H12F3N3O — CID 55226880

IUPAC3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(C3CC3)no2)CCNC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(3-4-14-5-9)8-15-7(16-17-8)6-1-2-6/h6,14H,1-5H2
InChIKeyKNPZIODWGOHSOV-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.74
Rot. Bonds2

About 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 55226880) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID55226880
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(C3CC3)no2)CCNC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(3-4-14-5-9)8-15-7(16-17-8)6-1-2-6/h6,14H,1-5H2
InChIKeyKNPZIODWGOHSOV-UHFFFAOYSA-N
XLogP1.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 55226880) is 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)C1(c2nc(C3CC3)no2)CCNC1.
What is the InChIKey of 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is KNPZIODWGOHSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(3-4-14-5-9)8-15-7(16-17-8)6-1-2-6/h6,14H,1-5H2.
What are the key properties of 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 247.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 55226880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).