3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C13H13NO4 — CID 6070620

IUPAC3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(/C=C/C(=O)N2CCOC2=O)cc1
InChIInChI=1S/C13H13NO4/c1-17-11-5-2-10(3-6-11)4-7-12(15)14-8-9-18-13(14)16/h2-7H,8-9H2,1H3/b7-4+
InChIKeyWSWZVKNNOPGTPY-QPJJXVBHSA-N
MW247.25 g/mol
LogP1.69
Rot. Bonds3

About 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 6070620) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID6070620
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(/C=C/C(=O)N2CCOC2=O)cc1
InChIInChI=1S/C13H13NO4/c1-17-11-5-2-10(3-6-11)4-7-12(15)14-8-9-18-13(14)16/h2-7H,8-9H2,1H3/b7-4+
InChIKeyWSWZVKNNOPGTPY-QPJJXVBHSA-N
XLogP1.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 142842409
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
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8888348
1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide
CID 134924177
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
(E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 27912646
(E)-3-(4-methoxyphenyl)-1-[(2R,5R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 1009678
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
(E)-3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 6271180

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 6070620) is 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is COc1ccc(/C=C/C(=O)N2CCOC2=O)cc1.
What is the InChIKey of 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is WSWZVKNNOPGTPY-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-11-5-2-10(3-6-11)4-7-12(15)14-8-9-18-13(14)16/h2-7H,8-9H2,1H3/b7-4+.
What are the key properties of 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 247.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 6070620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).