(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate

C10H15NO4 — CID 15859264

IUPAC(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCC1(CC)COC(=O)N1
InChIInChI=1S/C10H15NO4/c1-3-5-8(12)14-6-10(4-2)7-15-9(13)11-10/h3,5H,4,6-7H2,1-2H3,(H,11,13)/b5-3-
InChIKeyLZWPSMFNASLUHL-HYXAFXHYSA-N
MW213.23 g/mol
LogP0.99
Rot. Bonds4

About (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate

(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate (PubChem CID 15859264) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate.

Molecular Properties

Compound Name(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate
PubChem CID15859264
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCC1(CC)COC(=O)N1
InChIInChI=1S/C10H15NO4/c1-3-5-8(12)14-6-10(4-2)7-15-9(13)11-10/h3,5H,4,6-7H2,1-2H3,(H,11,13)/b5-3-
InChIKeyLZWPSMFNASLUHL-HYXAFXHYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl prop-2-enoate
CID 11252619
(2-methyloxiran-2-yl)methyl but-2-enoate
CID 85377354
4-ethyl-4-hydroxy-1,3-oxazolidin-2-one
CID 19933761
ethyl (E)-but-2-enoate;methanamine
CID 88817268
(2-methyl-3,4-dihydropyran-2-yl)methyl but-2-enoate
CID 54477396
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (E)-3-phenylprop-2-enoate
CID 25172089
(E)-4-[(3-ethyloxetan-3-yl)methoxy]-4-oxobut-2-enoic acid
CID 20682759
bis[(3-methyloxetan-3-yl)methyl] (E)-but-2-enedioate
CID 90456001
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7698948
5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
CID 13131207
(4R)-4-ethyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]-1,3-oxazolidin-2-one
CID 67040531
4-ethyl-4-[2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 22618845

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate?
The IUPAC name of (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate (CID 15859264) is (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate.
What is the SMILES notation for (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate?
The canonical SMILES for (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate is C/C=C\C(=O)OCC1(CC)COC(=O)N1.
What is the InChIKey of (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate?
The InChIKey is LZWPSMFNASLUHL-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-5-8(12)14-6-10(4-2)7-15-9(13)11-10/h3,5H,4,6-7H2,1-2H3,(H,11,13)/b5-3-.
What are the key properties of (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate?
(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate has a molecular weight of 213.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate is sourced from PubChem (CID 15859264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).