benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate

C13H15NO4 — CID 10198836

IUPACbenzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(=O)C(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C13H15NO4/c1-9-12(15)18-10(2)14(9)13(16)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyHXIQZAPHJWDKEF-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.92
Rot. Bonds2

About benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 10198836) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID10198836
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namebenzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(=O)C(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C13H15NO4/c1-9-12(15)18-10(2)14(9)13(16)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyHXIQZAPHJWDKEF-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 57221945
benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 22400746
3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid
CID 23252650
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716
benzyl (2S,4S)-4-[(2S)-butan-2-yl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 172639718
benzyl (2R,4S)-2-tert-butyl-4-(methylsulfanylmethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 146465305
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155

Frequently Asked Questions

What is the IUPAC name of benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 10198836) is benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC1OC(=O)C(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is HXIQZAPHJWDKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9-12(15)18-10(2)14(9)13(16)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10198836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).