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

C7H8F3N3O — CID 105459814

IUPAC2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCNC2)o1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)6-13-12-5(14-6)4-1-2-11-3-4/h4,11H,1-3H2
InChIKeyFKNLNXIAXWGAQJ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.17
Rot. Bonds1

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

2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 105459814) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID105459814
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCNC2)o1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)6-13-12-5(14-6)4-1-2-11-3-4/h4,11H,1-3H2
InChIKeyFKNLNXIAXWGAQJ-UHFFFAOYSA-N
XLogP1.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 105459814) is 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2CCNC2)o1.
What is the InChIKey of 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is FKNLNXIAXWGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)6-13-12-5(14-6)4-1-2-11-3-4/h4,11H,1-3H2.
What are the key properties of 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 207.15 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 2-pyrrolidin-3-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 105459814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).