5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

C8H10F3N3O — CID 82007962

IUPAC5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C(F)(F)F)no2)CCCN1
InChIInChI=1S/C8H10F3N3O/c1-7(3-2-4-12-7)6-13-5(14-15-6)8(9,10)11/h12H,2-4H2,1H3
InChIKeyOCQDGKGAVHPFMK-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.69
Rot. Bonds1

About 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole

5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 82007962) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID82007962
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(C(F)(F)F)no2)CCCN1
InChIInChI=1S/C8H10F3N3O/c1-7(3-2-4-12-7)6-13-5(14-15-6)8(9,10)11/h12H,2-4H2,1H3
InChIKeyOCQDGKGAVHPFMK-UHFFFAOYSA-N
XLogP1.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 82007962) is 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is CC1(c2nc(C(F)(F)F)no2)CCCN1.
What is the InChIKey of 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is OCQDGKGAVHPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-7(3-2-4-12-7)6-13-5(14-15-6)8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 221.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82007962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).