3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione

C24H15NO4 — CID 2815435

IUPAC3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
SMILESO=C(C1=NOC2(C(=O)c3ccccc3C2=O)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H15NO4/c26-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)24(29-25-20)22(27)17-13-7-8-14-18(17)23(24)28/h1-14,19H
InChIKeyOIEOCNGMVWZUDX-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.86
Rot. Bonds3

About 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione

3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione (PubChem CID 2815435) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
PubChem CID2815435
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
SMILESO=C(C1=NOC2(C(=O)c3ccccc3C2=O)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H15NO4/c26-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)24(29-25-20)22(27)17-13-7-8-14-18(17)23(24)28/h1-14,19H
InChIKeyOIEOCNGMVWZUDX-UHFFFAOYSA-N
XLogP3.86
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
The IUPAC name of 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione (CID 2815435) is 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione.
What is the SMILES notation for 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
The canonical SMILES for 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione is O=C(C1=NOC2(C(=O)c3ccccc3C2=O)C1c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
The InChIKey is OIEOCNGMVWZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO4/c26-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)24(29-25-20)22(27)17-13-7-8-14-18(17)23(24)28/h1-14,19H.
What are the key properties of 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione has a molecular weight of 381.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione is sourced from PubChem (CID 2815435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).