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

C15H21NO4 — CID 140978325

IUPAC1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-18-7-8-19-11-15(17)16-12-20-10-14(16)9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m0/s1
InChIKeyYWTBSHHMJFOQEV-AWEZNQCLSA-N
MW279.34 g/mol
LogP1.08
Rot. Bonds7

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

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 140978325) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID140978325
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO4/c1-18-7-8-19-11-15(17)16-12-20-10-14(16)9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m0/s1
InChIKeyYWTBSHHMJFOQEV-AWEZNQCLSA-N
XLogP1.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155510
1-[(2S)-2-benzylpiperidin-1-yl]-4-(2-methoxyethoxy)butan-1-one
CID 95295343
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
CID 142754319
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
(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-methoxyethoxy)ethanone?
The IUPAC name of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone (CID 140978325) is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1COC[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is YWTBSHHMJFOQEV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-7-8-19-11-15(17)16-12-20-10-14(16)9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone?
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 140978325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).