[(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate

C18H23NO5 — CID 11256067

IUPAC[(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate
SMILESCC[C@@H](OC(C)=O)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23NO5/c1-4-16(24-13(3)20)12(2)17(21)19-15(11-23-18(19)22)10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3/t12-,15+,16-/m1/s1
InChIKeyKSOZRDKNEMQUSR-UHOFOFEASA-N
MW333.38 g/mol
LogP2.55
Rot. Bonds6

About [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate

[(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate (PubChem CID 11256067) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate
PubChem CID11256067
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name[(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate
SMILESCC[C@@H](OC(C)=O)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23NO5/c1-4-16(24-13(3)20)12(2)17(21)19-15(11-23-18(19)22)10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3/t12-,15+,16-/m1/s1
InChIKeyKSOZRDKNEMQUSR-UHOFOFEASA-N
XLogP2.55
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate?
The IUPAC name of [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate (CID 11256067) is [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate?
The canonical SMILES for [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate is CC[C@@H](OC(C)=O)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate?
The InChIKey is KSOZRDKNEMQUSR-UHOFOFEASA-N. The full InChI is InChI=1S/C18H23NO5/c1-4-16(24-13(3)20)12(2)17(21)19-15(11-23-18(19)22)10-14-8-6-5-7-9-14/h5-9,12,15-16H,4,10-11H2,1-3H3/t12-,15+,16-/m1/s1.
What are the key properties of [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate?
[(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate has a molecular weight of 333.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-1-oxopentan-3-yl] acetate is sourced from PubChem (CID 11256067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).