(2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol

C11H10F3NO3S — CID 99832686

IUPAC(2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol
SMILESO[C@H](CSCc1cc(-c2ccco2)on1)C(F)(F)F
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)10(16)6-19-5-7-4-9(18-15-7)8-2-1-3-17-8/h1-4,10,16H,5-6H2/t10-/m1/s1
InChIKeyUYYAWNCKPUXJDD-SNVBAGLBSA-N
MW293.27 g/mol
LogP3.09
Rot. Bonds5

About (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol

(2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol (PubChem CID 99832686) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol
PubChem CID99832686
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name(2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol
SMILESO[C@H](CSCc1cc(-c2ccco2)on1)C(F)(F)F
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)10(16)6-19-5-7-4-9(18-15-7)8-2-1-3-17-8/h1-4,10,16H,5-6H2/t10-/m1/s1
InChIKeyUYYAWNCKPUXJDD-SNVBAGLBSA-N
XLogP3.09
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol (CID 99832686) is (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol is O[C@H](CSCc1cc(-c2ccco2)on1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol?
The InChIKey is UYYAWNCKPUXJDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)10(16)6-19-5-7-4-9(18-15-7)8-2-1-3-17-8/h1-4,10,16H,5-6H2/t10-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol has a molecular weight of 293.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propan-2-ol is sourced from PubChem (CID 99832686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).