1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one

C14H19NO2 — CID 102507909

IUPAC1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-6-14(16)15-11-17-10-13(15)9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyNCRGDWNSTFUOQD-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

About 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one (PubChem CID 102507909) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
PubChem CID102507909
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1COC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-6-14(16)15-11-17-10-13(15)9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyNCRGDWNSTFUOQD-ZDUSSCGKSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
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-methoxyethoxy)ethanone
CID 140978325
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155510
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
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
(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-(4-ethoxyphenyl)-2-propan-2-yloxypropan-1-one
CID 90932633
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
(2R)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-one
CID 141473595
(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]butan-1-one?
The IUPAC name of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one (CID 102507909) is 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one.
What is the SMILES notation for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one?
The canonical SMILES for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one is CCCC(=O)N1COC[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one?
The InChIKey is NCRGDWNSTFUOQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-14(16)15-11-17-10-13(15)9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one?
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one is sourced from PubChem (CID 102507909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).