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

C12H16F3N3O — CID 63709985

IUPAC3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(C3CCCC3)no2)CCNC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(5-6-16-7-11)10-17-9(18-19-10)8-3-1-2-4-8/h8,16H,1-7H2
InChIKeyRYXRFCLANWNBOM-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.52
Rot. Bonds2

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

3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 63709985) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID63709985
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2nc(C3CCCC3)no2)CCNC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11(5-6-16-7-11)10-17-9(18-19-10)8-3-1-2-4-8/h8,16H,1-7H2
InChIKeyRYXRFCLANWNBOM-UHFFFAOYSA-N
XLogP2.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790157
3-(3-methylbutyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63710522
3-[cyclopropyl(ethoxy)methyl]-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 116703835
3-(furan-2-yl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709803
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
5-(5-azaspiro[2.4]heptan-2-yl)-3-cyclohexyl-1,2,4-oxadiazole
CID 120837756
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
3-(3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145192

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 63709985) is 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)C1(c2nc(C3CCCC3)no2)CCNC1.
What is the InChIKey of 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RYXRFCLANWNBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11(5-6-16-7-11)10-17-9(18-19-10)8-3-1-2-4-8/h8,16H,1-7H2.
What are the key properties of 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 275.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 63709985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).