(5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one

C19H16F6N2O4S — CID 45256688

IUPAC(5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)([C@@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O4S/c1-17(2,32(29,30)13-5-3-4-11(8-13)18(20,21)22)15-10-27(16(28)31-15)12-6-7-14(26-9-12)19(23,24)25/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyTZQBDTDXRFUALY-HNNXBMFYSA-N
MW482.40 g/mol
LogP4.70
Rot. Bonds4

About (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one

(5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 45256688) has the molecular formula C19H16F6N2O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID45256688
Molecular FormulaC19H16F6N2O4S
Molecular Weight482.40 g/mol
Exact Mass482.07
IUPAC Name(5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)([C@@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O4S/c1-17(2,32(29,30)13-5-3-4-11(8-13)18(20,21)22)15-10-27(16(28)31-15)12-6-7-14(26-9-12)19(23,24)25/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyTZQBDTDXRFUALY-HNNXBMFYSA-N
XLogP4.70
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
CID 58348202
(4S)-1-(2-cyclopropylpyrimidin-5-yl)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
CID 58348268
methane;(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 159745995
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 16922546
methane;(4S)-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-2-one
CID 161024877
2-[(5S)-2-oxo-5-propyl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90321970
(1R,4R)-5-[3-(trifluoromethyl)phenyl]sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985410
(4S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
CID 87350951
2-[(5S)-5-tert-butyl-2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 90321893
2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90321883
1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256194
1-[6-(trifluoromethyl)-2,5-dihydropyridin-3-yl]-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrrolidin-2-one
CID 91586062

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 45256688) is (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one is CC(C)([C@@H]1CN(c2ccc(C(F)(F)F)nc2)C(=O)O1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is TZQBDTDXRFUALY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16F6N2O4S/c1-17(2,32(29,30)13-5-3-4-11(8-13)18(20,21)22)15-10-27(16(28)31-15)12-6-7-14(26-9-12)19(23,24)25/h3-9,15H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 482.40 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45256688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).