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

C25H17NO4 — CID 14546185

IUPAC2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
SMILESO=C1ON=C(c2ccccc2)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H17NO4/c27-23-17-13-7-8-14-18(17)24(28)21(23)19(15-9-3-1-4-10-15)20-22(26-30-25(20)29)16-11-5-2-6-12-16/h1-14,19-21H
InChIKeyPGPRUNQVGWBNKF-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.04
Rot. Bonds4

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

2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione (PubChem CID 14546185) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
PubChem CID14546185
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione
SMILESO=C1ON=C(c2ccccc2)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H17NO4/c27-23-17-13-7-8-14-18(17)24(28)21(23)19(15-9-3-1-4-10-15)20-22(26-30-25(20)29)16-11-5-2-6-12-16/h1-14,19-21H
InChIKeyPGPRUNQVGWBNKF-UHFFFAOYSA-N
XLogP4.04
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.04
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-[(5-oxo-3-phenyl-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

[4-Phenyl-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815435
Acetone, DAIH derivative
CID 6507968
[(Z)-1-phenylethylideneamino] 2-benzoyl-3-oxo-3-phenylpropanoate
CID 134922103
2-(2,2-Diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
CID 223898
(3Z)-2-(2,2-diphenylacetyl)-3-(propan-2-ylidenehydrazinylidene)inden-1-one
CID 5354516
[4-(4-Methylphenyl)-4,5-dihydro-1',3'-dioxospiro[isoxazole-5,2-indane]-3-yl](phenyl)methanone
CID 2815436
Fluoren-9-ylideneazamethyl benzoate
CID 3912985
Methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(2-methylphenyl)-4-oxobutanoate
CID 90827280
Methyl 4-(4-butylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90858584
Methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(3-methylphenyl)-4-oxobutanoate
CID 90910375
Methyl 4-(4-ethylphenyl)-2-(fluoren-9-ylidenehydrazinylidene)-4-oxobutanoate
CID 90934924
Methyl 2-(fluoren-9-ylidenehydrazinylidene)-4-(4-methylphenyl)-4-oxobutanoate
CID 91004180

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
The IUPAC name of 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione (CID 14546185) is 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione.
What is the SMILES notation for 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
The canonical SMILES for 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione is O=C1ON=C(c2ccccc2)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
The InChIKey is PGPRUNQVGWBNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO4/c27-23-17-13-7-8-14-18(17)24(28)21(23)19(15-9-3-1-4-10-15)20-22(26-30-25(20)29)16-11-5-2-6-12-16/h1-14,19-21H.
What are the key properties of 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione?
2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione has a molecular weight of 395.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-3-phenyl-4H-1,2-oxazol-4-yl)-phenylmethyl]indene-1,3-dione is sourced from PubChem (CID 14546185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).