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

C8H10F3N3O — CID 82007711

IUPAC5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CC2CCCN2)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(15-14-7)4-5-2-1-3-12-5/h5,12H,1-4H2
InChIKeyDIBSREBIAJPNCN-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.38
Rot. Bonds2

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

5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 82007711) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID82007711
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(CC2CCCN2)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(15-14-7)4-5-2-1-3-12-5/h5,12H,1-4H2
InChIKeyDIBSREBIAJPNCN-UHFFFAOYSA-N
XLogP1.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
5-(pyrrolidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 119947933
3-(4-tert-butylcyclohexyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65401812
2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078262
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807598
3-(4-methylpiperazin-1-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 116807868
3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216210

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 82007711) is 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(CC2CCCN2)n1.
What is the InChIKey of 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is DIBSREBIAJPNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)7-13-6(15-14-7)4-5-2-1-3-12-5/h5,12H,1-4H2.
What are the key properties of 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 221.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82007711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).