benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate

C13H15NO4 — CID 166811067

IUPACbenzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate
SMILESO=C(CCC1NCOC1=O)OCc1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(7-6-11-13(16)18-9-14-11)17-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyRQCUZNWWQUEDQL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.98
Rot. Bonds5

About benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate

benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate (PubChem CID 166811067) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate
PubChem CID166811067
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namebenzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate
SMILESO=C(CCC1NCOC1=O)OCc1ccccc1
InChIInChI=1S/C13H15NO4/c15-12(7-6-11-13(16)18-9-14-11)17-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyRQCUZNWWQUEDQL-UHFFFAOYSA-N
XLogP0.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 4868209
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 159699809
benzyl 3-(4-benzyl-3,6-dioxopiperazin-2-yl)propanoate
CID 123664935
benzyl 2-(2-oxooxolan-3-yl)acetate
CID 91271905
dibenzyl 4-oxoheptanedioate
CID 14639376
azane;benzyl 3-phenylpropanoate
CID 175136325
4-O-amino 1-O-benzyl butanedioate
CID 54013080
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
CID 102109508
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
benzyl 3-(azetidin-1-yl)propanoate
CID 156875495

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate?
The IUPAC name of benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate (CID 166811067) is benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate.
What is the SMILES notation for benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate?
The canonical SMILES for benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate is O=C(CCC1NCOC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate?
The InChIKey is RQCUZNWWQUEDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(7-6-11-13(16)18-9-14-11)17-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2.
What are the key properties of benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate?
benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate has a molecular weight of 249.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate is sourced from PubChem (CID 166811067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).