ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate

C17H17NO5 — CID 10245155

IUPACethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate
SMILESC=CCN1C(=O)C(=O)OC1(C(=C)C(=O)OCC)c1ccccc1
InChIInChI=1S/C17H17NO5/c1-4-11-18-14(19)16(21)23-17(18,12(3)15(20)22-5-2)13-9-7-6-8-10-13/h4,6-10H,1,3,5,11H2,2H3
InChIKeyBSALNGXIQXHLPC-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate

ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate (PubChem CID 10245155) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate
PubChem CID10245155
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Nameethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate
SMILESC=CCN1C(=O)C(=O)OC1(C(=C)C(=O)OCC)c1ccccc1
InChIInChI=1S/C17H17NO5/c1-4-11-18-14(19)16(21)23-17(18,12(3)15(20)22-5-2)13-9-7-6-8-10-13/h4,6-10H,1,3,5,11H2,2H3
InChIKeyBSALNGXIQXHLPC-UHFFFAOYSA-N
XLogP1.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate
CID 25181261
Methyl 2-(2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetate
CID 274667
Ethyl 2-(3-benzoyl-4-methyl-5-oxo-2-phenyl-oxazolidin-4-yl)acetate
CID 5130810
tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
CID 9972368
benzyl (2R,4R)-4-benzyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10362761
(2R,4S)-3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone
CID 11065866
(2S,4R)-3-Benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 13818180
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 23626667
(2R,4R)-3-benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
CID 29972656
benzyl (2R,4R)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 53773313
3-O-tert-butyl 4-O-methyl (4S,5R)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 89535647
[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]pyrrolidin-2-yl]methyl benzoate
CID 95975656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate (CID 10245155) is ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate is C=CCN1C(=O)C(=O)OC1(C(=C)C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate?
The InChIKey is BSALNGXIQXHLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-4-11-18-14(19)16(21)23-17(18,12(3)15(20)22-5-2)13-9-7-6-8-10-13/h4,6-10H,1,3,5,11H2,2H3.
What are the key properties of ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate?
ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate has a molecular weight of 315.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate is sourced from PubChem (CID 10245155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).