5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione

C30H24N2O3 — CID 58606523

IUPAC5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C30H24N2O3/c33-29-28(35-30(34)31(29)21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)32(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22H,20-21H2
InChIKeyYOMJKKAFDBCCMA-UHFFFAOYSA-N
MW460.53 g/mol
LogP6.72
Rot. Bonds7

About 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione

5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 58606523) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
PubChem CID58606523
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Name5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1OC(=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C30H24N2O3/c33-29-28(35-30(34)31(29)21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)32(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22H,20-21H2
InChIKeyYOMJKKAFDBCCMA-UHFFFAOYSA-N
XLogP6.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 56.72
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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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione (CID 58606523) is 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione is O=C1OC(=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is YOMJKKAFDBCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c33-29-28(35-30(34)31(29)21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)32(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22H,20-21H2.
What are the key properties of 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione?
5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 460.53 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58606523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).