1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone

C17H25NO3 — CID 10979179

IUPAC1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
SMILESCOCC(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C
InChIInChI=1S/C17H25NO3/c1-16(2)14(11-13-9-7-6-8-10-13)18(15(19)12-20-5)17(3,4)21-16/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyRTWFDAGBOXPHOU-AWEZNQCLSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds4

About 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone

1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone (PubChem CID 10979179) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
PubChem CID10979179
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
SMILESCOCC(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C
InChIInChI=1S/C17H25NO3/c1-16(2)14(11-13-9-7-6-8-10-13)18(15(19)12-20-5)17(3,4)21-16/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1
InChIKeyRTWFDAGBOXPHOU-AWEZNQCLSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone with MolForge

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Related Compounds

(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-phenylbutan-1-one
CID 10428929
1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
CID 82248413
(4R)-4-benzyl-3-(2-chloroacetyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 11594357
1-[(4R,5R)-4-hydroxy-2,2,5-trimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 44514525
(3S)-8-benzyl-4-(2-methoxyacetyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658677
[2-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-oxoethyl] benzenesulfinate
CID 59034679
benzyl 4-benzyl-5-hydroxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 142626217
1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
CID 82246368
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
(3aS,7aS)-4-benzyl-1-(2-methoxyacetyl)-3a-methyl-3,6,7,7a-tetrahydro-2H-pyrrolo[3,2-b]pyridin-5-one
CID 110137807
(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 176760746
3-O-tert-butyl 5-O-methyl (4S,5R)-4-benzyl-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 11121633

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone?
The IUPAC name of 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone (CID 10979179) is 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone is COCC(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C.
What is the InChIKey of 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone?
The InChIKey is RTWFDAGBOXPHOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2)14(11-13-9-7-6-8-10-13)18(15(19)12-20-5)17(3,4)21-16/h6-10,14H,11-12H2,1-5H3/t14-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone?
1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone has a molecular weight of 291.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone is sourced from PubChem (CID 10979179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).