2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole

C12H10F3N3OS — CID 86842530

IUPAC2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(SCc2nnc(C3CC3)o2)nc1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)8-3-4-10(16-5-8)20-6-9-17-18-11(19-9)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCCSWXMWWGNHCOJ-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.65
Rot. Bonds4

About 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 86842530) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID86842530
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(SCc2nnc(C3CC3)o2)nc1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)8-3-4-10(16-5-8)20-6-9-17-18-11(19-9)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyCCSWXMWWGNHCOJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45588567
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CID 47135006
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CID 52194386
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CID 52194387
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CID 56792403
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CID 63905167
CID 63905167

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole (CID 86842530) is 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(SCc2nnc(C3CC3)o2)nc1.
What is the InChIKey of 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is CCSWXMWWGNHCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)8-3-4-10(16-5-8)20-6-9-17-18-11(19-9)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 301.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86842530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).