4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol

C10H11F3N2O4S — CID 166282118

IUPAC4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
SMILESCC1(O)CON(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N2O4S/c1-9(16)5-15(19-6-9)20(17,18)8-3-2-7(4-14-8)10(11,12)13/h2-4,16H,5-6H2,1H3
InChIKeyPHDNXCPNOJDXRI-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.79
Rot. Bonds2

About 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol

4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol (PubChem CID 166282118) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
PubChem CID166282118
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol
SMILESCC1(O)CON(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C10H11F3N2O4S/c1-9(16)5-15(19-6-9)20(17,18)8-3-2-7(4-14-8)10(11,12)13/h2-4,16H,5-6H2,1H3
InChIKeyPHDNXCPNOJDXRI-UHFFFAOYSA-N
XLogP0.79
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
The IUPAC name of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol (CID 166282118) is 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol is CC1(O)CON(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
The InChIKey is PHDNXCPNOJDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-9(16)5-15(19-6-9)20(17,18)8-3-2-7(4-14-8)10(11,12)13/h2-4,16H,5-6H2,1H3.
What are the key properties of 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol?
4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol has a molecular weight of 312.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 166282118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).