3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione

C12H13NO3 — CID 142410731

IUPAC3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione
SMILESCCC1C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H13NO3/c1-2-10-11(14)16-12(15)13(10)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyJEONCJRAKYFMEN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.94
Rot. Bonds3

About 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione

3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione (PubChem CID 142410731) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione
PubChem CID142410731
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione
SMILESCCC1C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H13NO3/c1-2-10-11(14)16-12(15)13(10)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyJEONCJRAKYFMEN-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 170762067
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
CID 11020718
(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one
CID 177447043
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
(3R,4S)-1-benzyl-3,4-diethylazetidin-2-one
CID 45095274
1-benzyl-7-methylsulfanyl-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d][1,3]oxazine-2,4-dione
CID 75273640
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione (CID 142410731) is 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione is CCC1C(=O)OC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione?
The InChIKey is JEONCJRAKYFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-10-11(14)16-12(15)13(10)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione?
3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 142410731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).