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

C24H15NO4 — CID 1236177

IUPAC(4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
SMILESO=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1)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/t19-/m0/s1
InChIKeyOIEOCNGMVWZUDX-IBGZPJMESA-N
MW381.39 g/mol
LogP3.86
Rot. Bonds3

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

(4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione (PubChem CID 1236177) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name(4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
PubChem CID1236177
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name(4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
SMILESO=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1)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/t19-/m0/s1
InChIKeyOIEOCNGMVWZUDX-IBGZPJMESA-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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Related Compounds

[4-Phenyl-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815435
3,4'-Diphenyl-3'-p-tolyl-4'H-spiro[indan-2,5'-[1,2]oxazol]-1-one
CID 139087728
methyl (3aS,8bS)-3a-acetyl-2-oxido-4-oxo-8bH-indeno[1,2-d][1,2]oxazol-2-ium-1-carboxylate
CID 177855139
3-benzoyl-4-(4-chlorophenyl)spiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 2814730
[4-(4-Methylphenyl)-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815436
3-methylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 58433194
3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 58433195
(4R)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 6553005
(4S)-3-benzoyl-4-(4-methylphenyl)spiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 6976157
(4R)-3-benzoyl-4-(4-methylphenyl)spiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione
CID 7195208
2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
CID 14546185
2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
CID 14546186

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
The IUPAC name of (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione (CID 1236177) is (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione.
What is the SMILES notation for (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
The canonical SMILES for (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione is O=C(C1=NOC2(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
The InChIKey is OIEOCNGMVWZUDX-IBGZPJMESA-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/t19-/m0/s1.
What are the key properties of (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione?
(4S)-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 (4S)-3-benzoyl-4-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione is sourced from PubChem (CID 1236177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).