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

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Related Compounds

(2S)-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7472801
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3718935
4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3510764
(4E,5S)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 98382050
4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3818061
5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 4594221
(5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 1307973
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 3835066
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 51047948
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 3382341
(2R)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 40859823
13-(4-methoxyphenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 4911154

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).