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

C11H14F3N3O3 — CID 65353226

IUPAC3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(C3COCCO3)no2)CCNC1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)10(1-2-15-6-10)9-16-8(17-20-9)7-5-18-3-4-19-7/h7,15H,1-6H2
InChIKeyGAOAMFXVNDXGEG-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.95
Rot. Bonds2

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

3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 65353226) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID65353226
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(C3COCCO3)no2)CCNC1
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)10(1-2-15-6-10)9-16-8(17-20-9)7-5-18-3-4-19-7/h7,15H,1-6H2
InChIKeyGAOAMFXVNDXGEG-UHFFFAOYSA-N
XLogP0.95
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 65353226) is 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)C1(c2nc(C3COCCO3)no2)CCNC1.
What is the InChIKey of 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GAOAMFXVNDXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)10(1-2-15-6-10)9-16-8(17-20-9)7-5-18-3-4-19-7/h7,15H,1-6H2.
What are the key properties of 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 293.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 65353226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).