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

C10H14F3N3O — CID 63710869

IUPAC3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-15-8(17-16-7)9(10(11,12)13)3-4-14-5-9/h6,14H,3-5H2,1-2H3
InChIKeyFXDQYXUCZSJRDP-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.99
Rot. Bonds2

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

3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 63710869) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID63710869
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-15-8(17-16-7)9(10(11,12)13)3-4-14-5-9/h6,14H,3-5H2,1-2H3
InChIKeyFXDQYXUCZSJRDP-UHFFFAOYSA-N
XLogP1.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 63710869) is 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is CC(C)c1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FXDQYXUCZSJRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)7-15-8(17-16-7)9(10(11,12)13)3-4-14-5-9/h6,14H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 63710869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).