5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione

C27H19FN2O5 — CID 123172145

IUPAC5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)C2c2ccccc2F)cc1
InChIInChI=1S/C27H19FN2O5/c1-34-19-12-8-17(9-13-19)25(31)23-24(20-4-2-3-5-21(20)28)30(27(33)26(23)32)18-10-6-16(7-11-18)22-14-15-35-29-22/h2-15,23-24H,1H3
InChIKeyHHHZJZWBVLORNS-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.65
Rot. Bonds6

About 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione

5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione (PubChem CID 123172145) has the molecular formula C27H19FN2O5 and a molecular weight of 470.46 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
PubChem CID123172145
Molecular FormulaC27H19FN2O5
Molecular Weight470.46 g/mol
Exact Mass470.13
IUPAC Name5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)C2c2ccccc2F)cc1
InChIInChI=1S/C27H19FN2O5/c1-34-19-12-8-17(9-13-19)25(31)23-24(20-4-2-3-5-21(20)28)30(27(33)26(23)32)18-10-6-16(7-11-18)22-14-15-35-29-22/h2-15,23-24H,1H3
InChIKeyHHHZJZWBVLORNS-UHFFFAOYSA-N
XLogP4.65
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-5-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 91808211
2-[2-[3-(2,2-dimethylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-4,5-dioxopyrrolidin-2-yl]phenoxy]acetamide
CID 91808290
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
5-[2-(2-hydroxyethoxy)phenyl]-4-(3-methylbutanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
CID 91808451
4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 123287039
4-(4-bromobenzoyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
CID 91808210
4-(2,2-dimethylpropanoyl)-5-(4-methylphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
CID 123456644
4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 4747685
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 58045228
tert-butyl 2-[2-[3-benzoyl-1-(4-methoxyphenyl)-4,5-dioxopyrrolidin-2-yl]-5-chlorophenoxy]acetate
CID 123824360
5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione
CID 4757038
5-cyclohexyl-4-(4-methoxybenzoyl)-1-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
CID 123669022

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione (CID 123172145) is 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)C2c2ccccc2F)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is HHHZJZWBVLORNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O5/c1-34-19-12-8-17(9-13-19)25(31)23-24(20-4-2-3-5-21(20)28)30(27(33)26(23)32)18-10-6-16(7-11-18)22-14-15-35-29-22/h2-15,23-24H,1H3.
What are the key properties of 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 470.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 123172145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).