benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

C14H15NO4 — CID 22400746

IUPACbenzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESC=CC1C(=O)OC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO4/c1-3-12-13(16)19-10(2)15(12)14(17)18-9-11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeySALMWQZGRMVNIZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.08
Rot. Bonds3

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

benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 22400746) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID22400746
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namebenzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESC=CC1C(=O)OC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15NO4/c1-3-12-13(16)19-10(2)15(12)14(17)18-9-11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3
InChIKeySALMWQZGRMVNIZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
3-(2-methyl-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)propanoic acid
CID 23252650
benzyl (2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 57221945
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
1-O-benzyl 5-O-methyl (2R,6R)-2,6-bis(ethenyl)-4-hydroxy-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 54689126
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 (2S)-3-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 102370680
1-O-benzyl 2-O-methyl (2S,5R)-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 25192365
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716

Frequently Asked Questions

What is the IUPAC name of benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 22400746) is benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is C=CC1C(=O)OC(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is SALMWQZGRMVNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-12-13(16)19-10(2)15(12)14(17)18-9-11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3.
What are the key properties of benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22400746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).