4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid

C19H15NO5 — CID 71937000

IUPAC4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H15NO5/c21-17(10-3-13-1-4-15(5-2-13)18(22)23)14-6-8-16(9-7-14)20-11-12-25-19(20)24/h1-10H,11-12H2,(H,22,23)
InChIKeyOILMTKXZNQSPJB-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.24
Rot. Bonds5

About 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid

4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid (PubChem CID 71937000) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
PubChem CID71937000
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
SMILESO=C(O)c1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1
InChIInChI=1S/C19H15NO5/c21-17(10-3-13-1-4-15(5-2-13)18(22)23)14-6-8-16(9-7-14)20-11-12-25-19(20)24/h1-10H,11-12H2,(H,22,23)
InChIKeyOILMTKXZNQSPJB-UHFFFAOYSA-N
XLogP3.24
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid?
The IUPAC name of 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid (CID 71937000) is 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid?
The canonical SMILES for 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid is O=C(O)c1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1.
What is the InChIKey of 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid?
The InChIKey is OILMTKXZNQSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-17(10-3-13-1-4-15(5-2-13)18(22)23)14-6-8-16(9-7-14)20-11-12-25-19(20)24/h1-10H,11-12H2,(H,22,23).
What are the key properties of 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid?
4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid has a molecular weight of 337.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid is sourced from PubChem (CID 71937000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).