(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one

C20H19F4NO2 — CID 142754319

IUPAC(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
SMILESO=C(C[C@H](c1ccc(F)cc1)C(F)(F)F)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H19F4NO2/c21-16-8-6-15(7-9-16)18(20(22,23)24)11-19(26)25-13-27-12-17(25)10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2/t17-,18-/m1/s1
InChIKeyGPVGLDGFOQTMMT-QZTJIDSGSA-N
MW381.37 g/mol
LogP4.29
Rot. Bonds5

About (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one

(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one (PubChem CID 142754319) has the molecular formula C20H19F4NO2 and a molecular weight of 381.37 g/mol. Its IUPAC name is (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
PubChem CID142754319
Molecular FormulaC20H19F4NO2
Molecular Weight381.37 g/mol
Exact Mass381.14
IUPAC Name(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
SMILESO=C(C[C@H](c1ccc(F)cc1)C(F)(F)F)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H19F4NO2/c21-16-8-6-15(7-9-16)18(20(22,23)24)11-19(26)25-13-27-12-17(25)10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2/t17-,18-/m1/s1
InChIKeyGPVGLDGFOQTMMT-QZTJIDSGSA-N
XLogP4.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one
CID 150193108
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
1-[2-(aminomethyl)pyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119632680
(2R)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-one
CID 141473595
tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155510
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one
CID 78036039

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one?
The IUPAC name of (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one (CID 142754319) is (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one?
The canonical SMILES for (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one is O=C(C[C@H](c1ccc(F)cc1)C(F)(F)F)N1COC[C@H]1Cc1ccccc1.
What is the InChIKey of (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one?
The InChIKey is GPVGLDGFOQTMMT-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H19F4NO2/c21-16-8-6-15(7-9-16)18(20(22,23)24)11-19(26)25-13-27-12-17(25)10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2/t17-,18-/m1/s1.
What are the key properties of (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one?
(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one has a molecular weight of 381.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 142754319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).