2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate

C14H16NO5- — CID 5128608

IUPAC2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
SMILESCC1(Cc2ccccc2)OC(=O)N(CC(=O)[O-])C1(C)O
InChIInChI=1S/C14H17NO5/c1-13(8-10-6-4-3-5-7-10)14(2,19)15(9-11(16)17)12(18)20-13/h3-7,19H,8-9H2,1-2H3,(H,16,17)/p-1
InChIKeyUCLRBAYMZYWTKI-UHFFFAOYSA-M
MW278.28 g/mol
LogP-0.10
Rot. Bonds4

About 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate

2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate (PubChem CID 5128608) has the molecular formula C14H16NO5- and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate.

Molecular Properties

Compound Name2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
PubChem CID5128608
Molecular FormulaC14H16NO5-
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
SMILESCC1(Cc2ccccc2)OC(=O)N(CC(=O)[O-])C1(C)O
InChIInChI=1S/C14H17NO5/c1-13(8-10-6-4-3-5-7-10)14(2,19)15(9-11(16)17)12(18)20-13/h3-7,19H,8-9H2,1-2H3,(H,16,17)/p-1
InChIKeyUCLRBAYMZYWTKI-UHFFFAOYSA-M
XLogP-0.10
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 718145
2-[(4R,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 1384038
(4S,5R)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 683470
(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 685731
(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 7344333
3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-fluorophenyl)propanamide
CID 5305223
5-benzyl-5-methyl-4-oxofuran-2-carboxylic acid
CID 117000037
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
benzyltin(3+) triacetate
CID 161126164
(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 7327761
lithium 2-phenylacetate
CID 19205773

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
The IUPAC name of 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate (CID 5128608) is 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate.
What is the SMILES notation for 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
The canonical SMILES for 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate is CC1(Cc2ccccc2)OC(=O)N(CC(=O)[O-])C1(C)O.
What is the InChIKey of 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
The InChIKey is UCLRBAYMZYWTKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17NO5/c1-13(8-10-6-4-3-5-7-10)14(2,19)15(9-11(16)17)12(18)20-13/h3-7,19H,8-9H2,1-2H3,(H,16,17)/p-1.
What are the key properties of 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate has a molecular weight of 278.28 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate is sourced from PubChem (CID 5128608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).