(2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one

C23H15ClN2O5 — CID 40835948

About (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one

(2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one (PubChem CID 40835948) has the molecular formula C23H15ClN2O5 and a molecular weight of 434.84 g/mol. Its IUPAC name is (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
• PubChem CID: 40835948
• Molecular Formula: C23H15ClN2O5
• Molecular Weight: 434.84 g/mol
• Exact Mass: 434.07
• IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
• SMILES: Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1
• InChI: InChI=1S/C23H15ClN2O5/c1-12-9-18(25-31-12)26-20(14-6-4-7-15(24)10-14)19(22(28)23(26)29)21(27)17-11-13-5-2-3-8-16(13)30-17/h2-11,20,28H,1H3/t20-/m1/s1
• InChIKey: CKBMRUVXIVHHLM-HXUWFJFHSA-N
• XLogP: 5.17
• TPSA: 96.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.84
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

The IUPAC name of (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) is (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.

What is the SMILES notation for (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

The canonical SMILES for (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1.

What is the InChIKey of (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

The InChIKey is CKBMRUVXIVHHLM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H15ClN2O5/c1-12-9-18(25-31-12)26-20(14-6-4-7-15(24)10-14)19(22(28)23(26)29)21(27)17-11-13-5-2-3-8-16(13)30-17/h2-11,20,28H,1H3/t20-/m1/s1.

What are the key properties of (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

(2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one has a molecular weight of 434.84 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 40835948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).