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

C10H14F3N3O2 — CID 79614243

IUPAC3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOC(C)c1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C10H14F3N3O2/c1-6(17-2)7-15-8(18-16-7)9(10(11,12)13)3-4-14-5-9/h6,14H,3-5H2,1-2H3
InChIKeyHOCSBXSYNQBAON-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.57
Rot. Bonds3

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

3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 79614243) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID79614243
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCOC(C)c1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C10H14F3N3O2/c1-6(17-2)7-15-8(18-16-7)9(10(11,12)13)3-4-14-5-9/h6,14H,3-5H2,1-2H3
InChIKeyHOCSBXSYNQBAON-UHFFFAOYSA-N
XLogP1.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 79614243) is 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is COC(C)c1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is HOCSBXSYNQBAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(17-2)7-15-8(18-16-7)9(10(11,12)13)3-4-14-5-9/h6,14H,3-5H2,1-2H3.
What are the key properties of 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 265.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 79614243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).