(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate

C15H15NO5 — CID 123196272

IUPAC(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
SMILESC=Cc1ccc(COC(=O)CCC2NC(=O)OC2=O)cc1
InChIInChI=1S/C15H15NO5/c1-2-10-3-5-11(6-4-10)9-20-13(17)8-7-12-14(18)21-15(19)16-12/h2-6,12H,1,7-9H2,(H,16,19)
InChIKeyRNFCGTHNPPPWGW-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.79
Rot. Bonds6

About (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate

(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate (PubChem CID 123196272) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
PubChem CID123196272
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
SMILESC=Cc1ccc(COC(=O)CCC2NC(=O)OC2=O)cc1
InChIInChI=1S/C15H15NO5/c1-2-10-3-5-11(6-4-10)9-20-13(17)8-7-12-14(18)21-15(19)16-12/h2-6,12H,1,7-9H2,(H,16,19)
InChIKeyRNFCGTHNPPPWGW-UHFFFAOYSA-N
XLogP1.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 4868209
(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 159699809
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
CID 67951060
(4-ethenylphenyl)methyl cyclopentanecarboxylate
CID 175015138
(2S)-2-amino-4-[(4-ethenylphenyl)methoxy]-4-oxobutanoic acid
CID 102125035
(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
benzyl 3-(5-oxo-1,3-oxazolidin-4-yl)propanoate
CID 166811067
benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate
CID 19091323
benzyl 5-(dioctadecylamino)-5-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoate;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 158933196
2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid;benzyl N-[4-(2,5-dioxo-1,3-oxazolidin-4-yl)butyl]carbamate
CID 167674288

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The IUPAC name of (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate (CID 123196272) is (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate.
What is the SMILES notation for (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The canonical SMILES for (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate is C=Cc1ccc(COC(=O)CCC2NC(=O)OC2=O)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
The InChIKey is RNFCGTHNPPPWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-10-3-5-11(6-4-10)9-20-13(17)8-7-12-14(18)21-15(19)16-12/h2-6,12H,1,7-9H2,(H,16,19).
What are the key properties of (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate?
(4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate has a molecular weight of 289.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate is sourced from PubChem (CID 123196272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).