methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate

C17H17NO7 — CID 25140666

IUPACmethyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate
SMILESCOC(=O)/C=C/COCC(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO7/c1-23-15(20)8-5-9-24-11-14(19)16(21)18-13(10-25-17(18)22)12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3/b8-5+/t13-/m0/s1
InChIKeyHLSVKMKJXJTGGI-LJLILKBBSA-N
MW347.32 g/mol
LogP1.02
Rot. Bonds7

About methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate

methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate (PubChem CID 25140666) has the molecular formula C17H17NO7 and a molecular weight of 347.32 g/mol. Its IUPAC name is methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate
PubChem CID25140666
Molecular FormulaC17H17NO7
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Namemethyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate
SMILESCOC(=O)/C=C/COCC(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO7/c1-23-15(20)8-5-9-24-11-14(19)16(21)18-13(10-25-17(18)22)12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3/b8-5+/t13-/m0/s1
InChIKeyHLSVKMKJXJTGGI-LJLILKBBSA-N
XLogP1.02
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (E)-6-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]hex-2-en-5-ynoate
CID 139254687
(4S)-3-[(E)-2-methyl-4-phenylmethoxybut-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 25231256
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
3-[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6293644
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
(4S)-4-phenyl-3-[(2R)-2-[(1S)-1-phenylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 126708215
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(3R,4S)-4-methyl-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]hept-6-enoic acid
CID 146545185

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate?
The IUPAC name of methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate (CID 25140666) is methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate?
The canonical SMILES for methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate is COC(=O)/C=C/COCC(=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate?
The InChIKey is HLSVKMKJXJTGGI-LJLILKBBSA-N. The full InChI is InChI=1S/C17H17NO7/c1-23-15(20)8-5-9-24-11-14(19)16(21)18-13(10-25-17(18)22)12-6-3-2-4-7-12/h2-8,13H,9-11H2,1H3/b8-5+/t13-/m0/s1.
What are the key properties of methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate?
methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate has a molecular weight of 347.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[2,3-dioxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propoxy]but-2-enoate is sourced from PubChem (CID 25140666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).