2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one

C12H15F3N2O2S — CID 129188912

IUPAC2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@H]1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N2O2S/c1-11(2,3)10(18)17-7(4-5-19-17)9-16-8(6-20-9)12(13,14)15/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeySNDPHAAKGSNUIO-ZETCQYMHSA-N
MW308.33 g/mol
LogP3.41
Rot. Bonds1

About 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one

2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188912) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188912
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@H]1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N2O2S/c1-11(2,3)10(18)17-7(4-5-19-17)9-16-8(6-20-9)12(13,14)15/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeySNDPHAAKGSNUIO-ZETCQYMHSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one (CID 129188912) is 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one is CC(C)(C)C(=O)N1OCC[C@H]1c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is SNDPHAAKGSNUIO-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-11(2,3)10(18)17-7(4-5-19-17)9-16-8(6-20-9)12(13,14)15/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one has a molecular weight of 308.33 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).