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

C27H19FN2O5 — CID 58045089

IUPAC5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cnco4)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C27H19FN2O5/c1-34-21-12-6-18(7-13-21)25(31)23-24(17-2-8-19(28)9-3-17)30(27(33)26(23)32)20-10-4-16(5-11-20)22-14-29-15-35-22/h2-15,23-24H,1H3
InChIKeyCGSGHXQIROFMFJ-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.65
Rot. Bonds6

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

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione (PubChem CID 58045089) has the molecular formula C27H19FN2O5 and a molecular weight of 470.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
PubChem CID58045089
Molecular FormulaC27H19FN2O5
Molecular Weight470.46 g/mol
Exact Mass470.13
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cnco4)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C27H19FN2O5/c1-34-21-12-6-18(7-13-21)25(31)23-24(17-2-8-19(28)9-3-17)30(27(33)26(23)32)20-10-4-16(5-11-20)22-14-29-15-35-22/h2-15,23-24H,1H3
InChIKeyCGSGHXQIROFMFJ-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione (CID 58045089) is 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cnco4)cc3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is CGSGHXQIROFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O5/c1-34-21-12-6-18(7-13-21)25(31)23-24(17-2-8-19(28)9-3-17)30(27(33)26(23)32)20-10-4-16(5-11-20)22-14-29-15-35-22/h2-15,23-24H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione?
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-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-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 58045089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).