2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione

C20H15NO4 — CID 14546186

IUPAC2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
SMILESCC1=NOC(=O)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H15NO4/c1-11-15(20(24)25-21-11)16(12-7-3-2-4-8-12)17-18(22)13-9-5-6-10-14(13)19(17)23/h2-10,15-17H,1H3
InChIKeyYAZPBUNKQHDGKV-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.01
Rot. Bonds3

About 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione

2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione (PubChem CID 14546186) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
PubChem CID14546186
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
SMILESCC1=NOC(=O)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H15NO4/c1-11-15(20(24)25-21-11)16(12-7-3-2-4-8-12)17-18(22)13-9-5-6-10-14(13)19(17)23/h2-10,15-17H,1H3
InChIKeyYAZPBUNKQHDGKV-UHFFFAOYSA-N
XLogP3.01
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.01
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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenyl-1,2-indandione 2-oxime
CID 9603857
[4-Phenyl-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815435
2-[(1Z)-N-hydroxyethanimidoyl]-1H-indene-1,3(2H)-dione
CID 5375044
[(1,3-Dioxoinden-2-ylidene)amino] 4-fluorobenzoate
CID 19034331
2-(1-Hydroxyimino-ethyl)-indan-1,3-dione
CID 9593129
Methyl 2-(1',3'-dioxospiro[1,3-dihydroindene-2,2'-indene]-1-yl)acetate
CID 134866479
[4-(4-Methylphenyl)-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815436
2-(Ethoxyimino-phenyl-methyl)-indan-1,3-dione
CID 9620355
2-(Hydroxyimino)-3-phenyl-2,3-dihydro-1H-inden-1-one
CID 6399542
ethyl (1Z)-1-methoxyimino-3-oxoindene-2-carboxylate
CID 10444632
[(1,3-Dioxoinden-2-ylidene)amino] benzoate
CID 19034264
[(1,3-Dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino] benzoate
CID 56627338

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
The IUPAC name of 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione (CID 14546186) is 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione.
What is the SMILES notation for 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
The canonical SMILES for 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione is CC1=NOC(=O)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
The InChIKey is YAZPBUNKQHDGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-11-15(20(24)25-21-11)16(12-7-3-2-4-8-12)17-18(22)13-9-5-6-10-14(13)19(17)23/h2-10,15-17H,1H3.
What are the key properties of 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione has a molecular weight of 333.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione is sourced from PubChem (CID 14546186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).