4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one

C26H28N2O7 — CID 3249549

About 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one

4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one (PubChem CID 3249549) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
• PubChem CID: 3249549
• Molecular Formula: C26H28N2O7
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.19
• IUPAC Name: 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
• SMILES: COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C
• InChI: InChI=1S/C26H28N2O7/c1-14(2)10-11-33-18-9-7-17(13-20(18)32-5)23-22(24(29)19-8-6-15(3)34-19)25(30)26(31)28(23)21-12-16(4)35-27-21/h6-9,12-14,23,30H,10-11H2,1-5H3
• InChIKey: RQEMZMFPLIKWHF-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 115.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one (CID 3249549) is 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C.

What is the InChIKey of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

The InChIKey is RQEMZMFPLIKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O7/c1-14(2)10-11-33-18-9-7-17(13-20(18)32-5)23-22(24(29)19-8-6-15(3)34-19)25(30)26(31)28(23)21-12-16(4)35-27-21/h6-9,12-14,23,30H,10-11H2,1-5H3.

What are the key properties of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?

4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one has a molecular weight of 480.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 3249549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).