(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

C19H19F3N2O3 — CID 25103956

IUPAC(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(c1ccccc1)N1C[C@@H](COc2ccc(C(F)(F)F)cn2)OC1=O
InChIInChI=1S/C19H19F3N2O3/c1-18(2,13-6-4-3-5-7-13)24-11-15(27-17(24)25)12-26-16-9-8-14(10-23-16)19(20,21)22/h3-10,15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyFHSZGUCNWGLBKZ-HNNXBMFYSA-N
MW380.37 g/mol
LogP4.24
Rot. Bonds5

About (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 25103956) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID25103956
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(c1ccccc1)N1C[C@@H](COc2ccc(C(F)(F)F)cn2)OC1=O
InChIInChI=1S/C19H19F3N2O3/c1-18(2,13-6-4-3-5-7-13)24-11-15(27-17(24)25)12-26-16-9-8-14(10-23-16)19(20,21)22/h3-10,15H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyFHSZGUCNWGLBKZ-HNNXBMFYSA-N
XLogP4.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (CID 25103956) is (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is CC(C)(c1ccccc1)N1C[C@@H](COc2ccc(C(F)(F)F)cn2)OC1=O.
What is the InChIKey of (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is FHSZGUCNWGLBKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-18(2,13-6-4-3-5-7-13)24-11-15(27-17(24)25)12-26-16-9-8-14(10-23-16)19(20,21)22/h3-10,15H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
(5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 380.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-phenylpropan-2-yl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25103956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).