1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one

C14H16F4N2O3 — CID 129188877

IUPAC1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
SMILESCC(C)(COC(F)(F)F)C(=O)N1OCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C14H16F4N2O3/c1-13(2,8-22-14(16,17)18)12(21)20-11(3-4-23-20)9-5-10(15)7-19-6-9/h5-7,11H,3-4,8H2,1-2H3/t11-/m0/s1
InChIKeyLORCOWVXYBPLOS-NSHDSACASA-N
MW336.29 g/mol
LogP2.99
Rot. Bonds4

About 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one

1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one (PubChem CID 129188877) has the molecular formula C14H16F4N2O3 and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
PubChem CID129188877
Molecular FormulaC14H16F4N2O3
Molecular Weight336.29 g/mol
Exact Mass336.11
IUPAC Name1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
SMILESCC(C)(COC(F)(F)F)C(=O)N1OCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C14H16F4N2O3/c1-13(2,8-22-14(16,17)18)12(21)20-11(3-4-23-20)9-5-10(15)7-19-6-9/h5-7,11H,3-4,8H2,1-2H3/t11-/m0/s1
InChIKeyLORCOWVXYBPLOS-NSHDSACASA-N
XLogP2.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one?
The IUPAC name of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one (CID 129188877) is 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one?
The canonical SMILES for 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one is CC(C)(COC(F)(F)F)C(=O)N1OCC[C@H]1c1cncc(F)c1.
What is the InChIKey of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one?
The InChIKey is LORCOWVXYBPLOS-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F4N2O3/c1-13(2,8-22-14(16,17)18)12(21)20-11(3-4-23-20)9-5-10(15)7-19-6-9/h5-7,11H,3-4,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one?
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one has a molecular weight of 336.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one is sourced from PubChem (CID 129188877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).