[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate

C15H19NO4 — CID 70360453

IUPAC[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate
SMILESCC(C)N1C(=O)OC(COC(=O)c2ccccc2)[C@@H]1C
InChIInChI=1S/C15H19NO4/c1-10(2)16-11(3)13(20-15(16)18)9-19-14(17)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13?/m0/s1
InChIKeyREGDMFBRFRKINW-AMGKYWFPSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds4

About [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate

[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate (PubChem CID 70360453) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate.

Molecular Properties

Compound Name[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate
PubChem CID70360453
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate
SMILESCC(C)N1C(=O)OC(COC(=O)c2ccccc2)[C@@H]1C
InChIInChI=1S/C15H19NO4/c1-10(2)16-11(3)13(20-15(16)18)9-19-14(17)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13?/m0/s1
InChIKeyREGDMFBRFRKINW-AMGKYWFPSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate?
The IUPAC name of [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate (CID 70360453) is [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate.
What is the SMILES notation for [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate?
The canonical SMILES for [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate is CC(C)N1C(=O)OC(COC(=O)c2ccccc2)[C@@H]1C.
What is the InChIKey of [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate?
The InChIKey is REGDMFBRFRKINW-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)16-11(3)13(20-15(16)18)9-19-14(17)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate?
[(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate has a molecular weight of 277.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl benzoate is sourced from PubChem (CID 70360453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).