2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid

C17H16N2O6 — CID 155818026

IUPAC2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid
SMILESCOc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2cc(C)on2)cc1
InChIInChI=1S/C17H16N2O6/c1-9-7-13(18-25-9)19-15(10-3-5-11(24-2)6-4-10)12(8-14(20)21)16(22)17(19)23/h3-7,15,22H,8H2,1-2H3,(H,20,21)
InChIKeyLEIITXFYOYBZMZ-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid

2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid (PubChem CID 155818026) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid
PubChem CID155818026
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid
SMILESCOc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2cc(C)on2)cc1
InChIInChI=1S/C17H16N2O6/c1-9-7-13(18-25-9)19-15(10-3-5-11(24-2)6-4-10)12(8-14(20)21)16(22)17(19)23/h3-7,15,22H,8H2,1-2H3,(H,20,21)
InChIKeyLEIITXFYOYBZMZ-UHFFFAOYSA-N
XLogP2.37
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid (CID 155818026) is 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid is COc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2cc(C)on2)cc1.
What is the InChIKey of 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
The InChIKey is LEIITXFYOYBZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6/c1-9-7-13(18-25-9)19-15(10-3-5-11(24-2)6-4-10)12(8-14(20)21)16(22)17(19)23/h3-7,15,22H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid?
2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid has a molecular weight of 344.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 155818026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).