[(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate

C18H25NO5 — CID 139252372

IUPAC[(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate
SMILESCCC[C@@H](OC(=O)c1c(C)cc(C)cc1C)[C@H](O)[C@H]1COC(=O)N1
InChIInChI=1S/C18H25NO5/c1-5-6-14(16(20)13-9-23-18(22)19-13)24-17(21)15-11(3)7-10(2)8-12(15)4/h7-8,13-14,16,20H,5-6,9H2,1-4H3,(H,19,22)/t13-,14-,16-/m1/s1
InChIKeyICUFEVURUSMZCH-IIAWOOMASA-N
MW335.40 g/mol
LogP2.41
Rot. Bonds6

About [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate

[(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate (PubChem CID 139252372) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate
PubChem CID139252372
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate
SMILESCCC[C@@H](OC(=O)c1c(C)cc(C)cc1C)[C@H](O)[C@H]1COC(=O)N1
InChIInChI=1S/C18H25NO5/c1-5-6-14(16(20)13-9-23-18(22)19-13)24-17(21)15-11(3)7-10(2)8-12(15)4/h7-8,13-14,16,20H,5-6,9H2,1-4H3,(H,19,22)/t13-,14-,16-/m1/s1
InChIKeyICUFEVURUSMZCH-IIAWOOMASA-N
XLogP2.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate?
The IUPAC name of [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate (CID 139252372) is [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate is CCC[C@@H](OC(=O)c1c(C)cc(C)cc1C)[C@H](O)[C@H]1COC(=O)N1.
What is the InChIKey of [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate?
The InChIKey is ICUFEVURUSMZCH-IIAWOOMASA-N. The full InChI is InChI=1S/C18H25NO5/c1-5-6-14(16(20)13-9-23-18(22)19-13)24-17(21)15-11(3)7-10(2)8-12(15)4/h7-8,13-14,16,20H,5-6,9H2,1-4H3,(H,19,22)/t13-,14-,16-/m1/s1.
What are the key properties of [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate?
[(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate has a molecular weight of 335.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-hydroxy-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]pentan-2-yl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 139252372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).