(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid

C13H13NO4 — CID 177477909

IUPAC(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid
SMILESC/C(=C(\C(=O)O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C13H13NO4/c1-9(10-5-3-2-4-6-10)11(12(15)16)14-7-8-18-13(14)17/h2-6H,7-8H2,1H3,(H,15,16)/b11-9-
InChIKeyTXABMHNWHPQFFY-LUAWRHEFSA-N
MW247.25 g/mol
LogP1.95
Rot. Bonds3

About (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid

(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid (PubChem CID 177477909) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid
PubChem CID177477909
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid
SMILESC/C(=C(\C(=O)O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C13H13NO4/c1-9(10-5-3-2-4-6-10)11(12(15)16)14-7-8-18-13(14)17/h2-6H,7-8H2,1H3,(H,15,16)/b11-9-
InChIKeyTXABMHNWHPQFFY-LUAWRHEFSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 101211960
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
CID 10560618
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 78210230
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione
CID 121006003
3-[(Z)-5-[dimethyl(phenyl)silyl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 101064679
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid?
The IUPAC name of (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid (CID 177477909) is (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid.
What is the SMILES notation for (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid?
The canonical SMILES for (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid is C/C(=C(\C(=O)O)N1CCOC1=O)c1ccccc1.
What is the InChIKey of (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid?
The InChIKey is TXABMHNWHPQFFY-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H13NO4/c1-9(10-5-3-2-4-6-10)11(12(15)16)14-7-8-18-13(14)17/h2-6H,7-8H2,1H3,(H,15,16)/b11-9-.
What are the key properties of (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid?
(Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylbut-2-enoic acid is sourced from PubChem (CID 177477909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).