2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole

C11H10F3N3O3S — CID 97074868

IUPAC2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H](C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3O3S/c1-6(10-17-16-7(2)20-10)21(18,19)9-4-3-8(5-15-9)11(12,13)14/h3-6H,1-2H3/t6-/m1/s1
InChIKeyIWICYZXNKKIDEC-ZCFIWIBFSA-N
MW321.28 g/mol
LogP2.33
Rot. Bonds3

About 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole

2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole (PubChem CID 97074868) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole
PubChem CID97074868
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Name2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H](C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3O3S/c1-6(10-17-16-7(2)20-10)21(18,19)9-4-3-8(5-15-9)11(12,13)14/h3-6H,1-2H3/t6-/m1/s1
InChIKeyIWICYZXNKKIDEC-ZCFIWIBFSA-N
XLogP2.33
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole (CID 97074868) is 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole is Cc1nnc([C@@H](C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is IWICYZXNKKIDEC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-6(10-17-16-7(2)20-10)21(18,19)9-4-3-8(5-15-9)11(12,13)14/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 321.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 97074868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).