benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate

C19H17NO5 — CID 90407204

IUPACbenzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@@H](C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C19H17NO5/c1-13(15-10-6-3-7-11-15)20-17(21)16(25-19(20)23)18(22)24-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKeyFYGRHFFOTZSDRK-CZUORRHYSA-N
MW339.35 g/mol
LogP2.84
Rot. Bonds5

About benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate

benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate (PubChem CID 90407204) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namebenzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate
PubChem CID90407204
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namebenzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@@H](C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C19H17NO5/c1-13(15-10-6-3-7-11-15)20-17(21)16(25-19(20)23)18(22)24-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1
InChIKeyFYGRHFFOTZSDRK-CZUORRHYSA-N
XLogP2.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate?
The IUPAC name of benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate (CID 90407204) is benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate is C[C@H](c1ccccc1)N1C(=O)O[C@@H](C(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate?
The InChIKey is FYGRHFFOTZSDRK-CZUORRHYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-13(15-10-6-3-7-11-15)20-17(21)16(25-19(20)23)18(22)24-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m1/s1.
What are the key properties of benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate?
benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 90407204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).