[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

C15H12N2O5 — CID 8935026

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESN#Cc1ccc(/C=C/C(=O)OCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C15H12N2O5/c16-9-12-3-1-11(2-4-12)5-6-14(19)22-10-13(18)17-7-8-21-15(17)20/h1-6H,7-8,10H2/b6-5+
InChIKeySEPUCIAMKGKJET-AATRIKPKSA-N
MW300.27 g/mol
LogP1.09
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate (PubChem CID 8935026) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate
PubChem CID8935026
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESN#Cc1ccc(/C=C/C(=O)OCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C15H12N2O5/c16-9-12-3-1-11(2-4-12)5-6-14(19)22-10-13(18)17-7-8-21-15(17)20/h1-6H,7-8,10H2/b6-5+
InChIKeySEPUCIAMKGKJET-AATRIKPKSA-N
XLogP1.09
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8888348
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 8942774
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 8886777
4-[(E)-3-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)-2-[(E)-2-phenylethenyl]hept-1-enyl]benzonitrile
CID 166174291
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 8881803
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate
CID 8587304
(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
CID 173062460
octyl 3-(4-cyanophenyl)prop-2-enoate
CID 174991868
3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 142842409
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 8648318
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11242185
3-[3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 72765876

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate (CID 8935026) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate is N#Cc1ccc(/C=C/C(=O)OCC(=O)N2CCOC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate?
The InChIKey is SEPUCIAMKGKJET-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12N2O5/c16-9-12-3-1-11(2-4-12)5-6-14(19)22-10-13(18)17-7-8-21-15(17)20/h1-6H,7-8,10H2/b6-5+.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate has a molecular weight of 300.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 8935026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).