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

C11H10F3N3O2 — CID 63709803

IUPAC3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(-c3ccco3)no2)CCNC1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10(3-4-15-6-10)9-16-8(17-19-9)7-2-1-5-18-7/h1-2,5,15H,3-4,6H2
InChIKeyQIYUAUNYDPSLAP-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.12
Rot. Bonds2

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

3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 63709803) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID63709803
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(-c3ccco3)no2)CCNC1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10(3-4-15-6-10)9-16-8(17-19-9)7-2-1-5-18-7/h1-2,5,15H,3-4,6H2
InChIKeyQIYUAUNYDPSLAP-UHFFFAOYSA-N
XLogP2.12
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 63709803) is 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)C1(c2nc(-c3ccco3)no2)CCNC1.
What is the InChIKey of 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is QIYUAUNYDPSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)10(3-4-15-6-10)9-16-8(17-19-9)7-2-1-5-18-7/h1-2,5,15H,3-4,6H2.
What are the key properties of 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 273.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 63709803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).