2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C10H9F3N4OS — CID 47143091

IUPAC2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nccc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H9F3N4OS/c1-2-7-16-17-8(18-7)5-19-9-14-4-3-6(15-9)10(11,12)13/h3-4H,2,5H2,1H3
InChIKeySFJFIODDEOHLFE-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.73
Rot. Bonds4

About 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 47143091) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID47143091
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CSc2nccc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H9F3N4OS/c1-2-7-16-17-8(18-7)5-19-9-14-4-3-6(15-9)10(11,12)13/h3-4H,2,5H2,1H3
InChIKeySFJFIODDEOHLFE-UHFFFAOYSA-N
XLogP2.73
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 47143091) is 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is CCc1nnc(CSc2nccc(C(F)(F)F)n2)o1.
What is the InChIKey of 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is SFJFIODDEOHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-2-7-16-17-8(18-7)5-19-9-14-4-3-6(15-9)10(11,12)13/h3-4H,2,5H2,1H3.
What are the key properties of 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 290.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47143091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).