5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione

C13H12F3NO3S — CID 110189733

IUPAC5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
SMILESCSCCC1OC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H12F3NO3S/c1-21-6-5-10-11(18)17(12(19)20-10)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,10H,5-6H2,1H3
InChIKeyZLWNJCBSPSETIS-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.31
Rot. Bonds4

About 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione

5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 110189733) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID110189733
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC Name5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
SMILESCSCCC1OC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H12F3NO3S/c1-21-6-5-10-11(18)17(12(19)20-10)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,10H,5-6H2,1H3
InChIKeyZLWNJCBSPSETIS-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 61314233
(3aS,4R,7S,7aS)-4,7-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 27233869
6-chloro-3-[3-(trifluoromethyl)phenyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazine-2,4-dione
CID 78206250
6-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009972
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
CID 54282779
5-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478434
(3R,3aR,6aR)-2-phenyl-3-propyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27843557
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione (CID 110189733) is 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione is CSCCC1OC(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is ZLWNJCBSPSETIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c1-21-6-5-10-11(18)17(12(19)20-10)9-4-2-3-8(7-9)13(14,15)16/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione?
5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 319.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 110189733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).