(5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione

C24H20ClFN2O4 — CID 1496500

IUPAC(5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
SMILESCC(C)(C)c1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)no1
InChIInChI=1S/C24H20ClFN2O4/c1-24(2,3)17-12-18(27-32-17)28-20(13-6-10-16(26)11-7-13)19(22(30)23(28)31)21(29)14-4-8-15(25)9-5-14/h4-12,20,29H,1-3H3/t20-/m1/s1
InChIKeyLJCNRRNYPMJQGL-HXUWFJFHSA-N
MW454.89 g/mol
LogP5.39
Rot. Bonds3

About (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione

(5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione (PubChem CID 1496500) has the molecular formula C24H20ClFN2O4 and a molecular weight of 454.89 g/mol. Its IUPAC name is (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
PubChem CID1496500
Molecular FormulaC24H20ClFN2O4
Molecular Weight454.89 g/mol
Exact Mass454.11
IUPAC Name(5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
SMILESCC(C)(C)c1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)no1
InChIInChI=1S/C24H20ClFN2O4/c1-24(2,3)17-12-18(27-32-17)28-20(13-6-10-16(26)11-7-13)19(22(30)23(28)31)21(29)14-4-8-15(25)9-5-14/h4-12,20,29H,1-3H3/t20-/m1/s1
InChIKeyLJCNRRNYPMJQGL-HXUWFJFHSA-N
XLogP5.39
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-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

(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-(4-chlorophenyl)pyrrolidine-2,3-dione
CID 6148647
5-(4-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 2950285
(4E,5R)-5-(4-tert-butylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 5434911
(4E,5R)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
CID 98165645
5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3348441
(Z)-4-[3-[[1-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]anilino]-4-oxobut-2-enoic acid
CID 162306186
(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 5436661
5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 4594221
5-(4-ethylphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3380176
methyl 4-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
CID 3432691
(5R)-5-(4-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-pyrimidin-2-ylpyrrolidine-2,3-dione
CID 1323331
(4E)-1-(3,4-difluorophenyl)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108600782

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione?
The IUPAC name of (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione (CID 1496500) is (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione is CC(C)(C)c1cc(N2C(=O)C(=O)C(=C(O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)no1.
What is the InChIKey of (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione?
The InChIKey is LJCNRRNYPMJQGL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H20ClFN2O4/c1-24(2,3)17-12-18(27-32-17)28-20(13-6-10-16(26)11-7-13)19(22(30)23(28)31)21(29)14-4-8-15(25)9-5-14/h4-12,20,29H,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione?
(5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione has a molecular weight of 454.89 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-fluorophenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 1496500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).