5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C11H16F3N3O — CID 83070217

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CCC(F)(F)F)no2)CCCN1
InChIInChI=1S/C11H16F3N3O/c1-2-10(5-3-7-15-10)9-16-8(17-18-9)4-6-11(12,13)14/h15H,2-7H2,1H3
InChIKeyYDSCZHHICSYSMB-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.55
Rot. Bonds4

About 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 83070217) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID83070217
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CCC(F)(F)F)no2)CCCN1
InChIInChI=1S/C11H16F3N3O/c1-2-10(5-3-7-15-10)9-16-8(17-18-9)4-6-11(12,13)14/h15H,2-7H2,1H3
InChIKeyYDSCZHHICSYSMB-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 83070217) is 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is CCC1(c2nc(CCC(F)(F)F)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is YDSCZHHICSYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-10(5-3-7-15-10)9-16-8(17-18-9)4-6-11(12,13)14/h15H,2-7H2,1H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 263.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).