4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione

C23H15ClN2O5 — CID 91897640

IUPAC4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
SMILESCc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H15ClN2O5/c1-12-10-18(25-31-12)26-20(13-6-8-15(24)9-7-13)19(22(28)23(26)29)21(27)17-11-14-4-2-3-5-16(14)30-17/h2-11,19-20H,1H3
InChIKeyVIAWGGJQNLLBOF-UHFFFAOYSA-N
MW434.84 g/mol
LogP4.54
Rot. Bonds4

About 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione

4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione (PubChem CID 91897640) has the molecular formula C23H15ClN2O5 and a molecular weight of 434.84 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
PubChem CID91897640
Molecular FormulaC23H15ClN2O5
Molecular Weight434.84 g/mol
Exact Mass434.07
IUPAC Name4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
SMILESCc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H15ClN2O5/c1-12-10-18(25-31-12)26-20(13-6-8-15(24)9-7-13)19(22(28)23(26)29)21(27)17-11-14-4-2-3-5-16(14)30-17/h2-11,19-20H,1H3
InChIKeyVIAWGGJQNLLBOF-UHFFFAOYSA-N
XLogP4.54
TPSA93.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.84
LogP ≤ 54.54
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

(2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 40835948
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 4669114
4-(1-benzofuran-2-carbonyl)-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91896717
4-(1-benzofuran-2-carbonyl)-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 91897632
(2R)-3-(1-benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 6997674
4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
CID 123294023
1-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261638
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 91896461
methyl 4-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
CID 3432691
3-(1-benzofuran-2-carbonyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 4125133
3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2H-pyrrol-4-olate
CID 4025907
3-(1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108599998

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione (CID 91897640) is 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione is Cc1cc(N2C(=O)C(=O)C(C(=O)c3cc4ccccc4o3)C2c2ccc(Cl)cc2)no1.
What is the InChIKey of 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione?
The InChIKey is VIAWGGJQNLLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O5/c1-12-10-18(25-31-12)26-20(13-6-8-15(24)9-7-13)19(22(28)23(26)29)21(27)17-11-14-4-2-3-5-16(14)30-17/h2-11,19-20H,1H3.
What are the key properties of 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione?
4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione has a molecular weight of 434.84 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91897640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).