(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione

C24H19NO3 — CID 152583840

IUPAC(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(/C(=C2/OC(=O)N(Cc3ccccc3)C2=O)c2ccccc2)c1
InChIInChI=1S/C24H19NO3/c1-17-9-8-14-20(15-17)21(19-12-6-3-7-13-19)22-23(26)25(24(27)28-22)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3/b22-21+
InChIKeyYUANQSKWTRKJGD-QURGRASLSA-N
MW369.42 g/mol
LogP4.93
Rot. Bonds4

About (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione

(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 152583840) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione
PubChem CID152583840
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(/C(=C2/OC(=O)N(Cc3ccccc3)C2=O)c2ccccc2)c1
InChIInChI=1S/C24H19NO3/c1-17-9-8-14-20(15-17)21(19-12-6-3-7-13-19)22-23(26)25(24(27)28-22)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3/b22-21+
InChIKeyYUANQSKWTRKJGD-QURGRASLSA-N
XLogP4.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione (CID 152583840) is (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione is Cc1cccc(/C(=C2/OC(=O)N(Cc3ccccc3)C2=O)c2ccccc2)c1.
What is the InChIKey of (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is YUANQSKWTRKJGD-QURGRASLSA-N. The full InChI is InChI=1S/C24H19NO3/c1-17-9-8-14-20(15-17)21(19-12-6-3-7-13-19)22-23(26)25(24(27)28-22)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3/b22-21+.
What are the key properties of (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione?
(5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 369.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[(3-methylphenyl)-phenylmethylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 152583840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).