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

C8H10F3N3O — CID 63708360

IUPAC3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C8H10F3N3O/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7/h12H,2-4H2,1H3
InChIKeyWPZLYGHBXCKPEE-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.17
Rot. Bonds1

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

3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 63708360) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID63708360
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C8H10F3N3O/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7/h12H,2-4H2,1H3
InChIKeyWPZLYGHBXCKPEE-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 63708360) is 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is WPZLYGHBXCKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7/h12H,2-4H2,1H3.
What are the key properties of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 221.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 63708360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).