(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine

C22H18F3NOS — CID 155929871

IUPAC(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine
SMILESFC(F)(F)[C@@H]1O/C(=C(\c2ccccc2)c2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C22H18F3NOS/c23-22(24,25)21-26(14-16-8-3-1-4-9-16)15-18(27-21)20(19-12-7-13-28-19)17-10-5-2-6-11-17/h1-13,21H,14-15H2/b20-18+/t21-/m0/s1
InChIKeyGLKWVARQYVDOCC-LSSWGTAKSA-N
MW401.45 g/mol
LogP5.93
Rot. Bonds4

About (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine

(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 155929871) has the molecular formula C22H18F3NOS and a molecular weight of 401.45 g/mol. Its IUPAC name is (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID155929871
Molecular FormulaC22H18F3NOS
Molecular Weight401.45 g/mol
Exact Mass401.11
IUPAC Name(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine
SMILESFC(F)(F)[C@@H]1O/C(=C(\c2ccccc2)c2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C22H18F3NOS/c23-22(24,25)21-26(14-16-8-3-1-4-9-16)15-18(27-21)20(19-12-7-13-28-19)17-10-5-2-6-11-17/h1-13,21H,14-15H2/b20-18+/t21-/m0/s1
InChIKeyGLKWVARQYVDOCC-LSSWGTAKSA-N
XLogP5.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(Thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]morpholine
CID 46068285
4-[[5-[4-(1,1,1-Trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine
CID 71036765
4-[2-[2-[(4-Fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine
CID 141147864
4-[Phenyl(thiophen-3-yl)methyl]morpholine
CID 44473897
4-[(Z)-1-phenyl-3-thiophen-2-ylprop-2-enyl]morpholine
CID 134952427
[5-[4-(Difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione
CID 1084831
N-[(3,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 25915131
(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956002
N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 46965371
N-[(2,5-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 46965372
N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 46965376
N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 60223863

Frequently Asked Questions

What is the IUPAC name of (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine (CID 155929871) is (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine is FC(F)(F)[C@@H]1O/C(=C(\c2ccccc2)c2cccs2)CN1Cc1ccccc1.
What is the InChIKey of (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is GLKWVARQYVDOCC-LSSWGTAKSA-N. The full InChI is InChI=1S/C22H18F3NOS/c23-22(24,25)21-26(14-16-8-3-1-4-9-16)15-18(27-21)20(19-12-7-13-28-19)17-10-5-2-6-11-17/h1-13,21H,14-15H2/b20-18+/t21-/m0/s1.
What are the key properties of (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 401.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 155929871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).