1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C14H16F3NO3 — CID 151312894

IUPAC1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-20-8-13(19)18-10-21-7-12(18)6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKeyOEULRZDSTYSZKB-LBPRGKRZSA-N
MW303.28 g/mol
LogP1.99
Rot. Bonds5

About 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 151312894) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID151312894
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)9-20-8-13(19)18-10-21-7-12(18)6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKeyOEULRZDSTYSZKB-LBPRGKRZSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
CID 142754319
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
(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
pyridin-4-yl 4-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylate
CID 151970254
1-[3-(bromomethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212798
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one
CID 150193108

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 151312894) is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1COC[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is OEULRZDSTYSZKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)9-20-8-13(19)18-10-21-7-12(18)6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 303.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 151312894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).