5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C10H14F3N3OS — CID 79954047

IUPAC5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(CC2CSCCN2)n1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)2-1-8-15-9(17-16-8)5-7-6-18-4-3-14-7/h7,14H,1-6H2
InChIKeyWRERNKYGWMMFOU-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.81
Rot. Bonds4

About 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 79954047) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID79954047
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(CC2CSCCN2)n1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)2-1-8-15-9(17-16-8)5-7-6-18-4-3-14-7/h7,14H,1-6H2
InChIKeyWRERNKYGWMMFOU-UHFFFAOYSA-N
XLogP1.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 79954047) is 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(CC2CSCCN2)n1.
What is the InChIKey of 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is WRERNKYGWMMFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)2-1-8-15-9(17-16-8)5-7-6-18-4-3-14-7/h7,14H,1-6H2.
What are the key properties of 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 281.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79954047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).