4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one

C26H26N2O6 — CID 58365902

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
SMILESCOCCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C26H26N2O6/c1-16(2)24(29)22-23(19-6-4-5-7-21(19)33-15-14-32-3)28(26(31)25(22)30)18-10-8-17(9-11-18)20-12-13-34-27-20/h4-13,16,23,30H,14-15H2,1-3H3
InChIKeySSTSXSGKVLGPRF-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.49
Rot. Bonds9

About 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one

4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one (PubChem CID 58365902) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
PubChem CID58365902
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
SMILESCOCCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C26H26N2O6/c1-16(2)24(29)22-23(19-6-4-5-7-21(19)33-15-14-32-3)28(26(31)25(22)30)18-10-8-17(9-11-18)20-12-13-34-27-20/h4-13,16,23,30H,14-15H2,1-3H3
InChIKeySSTSXSGKVLGPRF-UHFFFAOYSA-N
XLogP4.49
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2-[2-(propan-2-yloxymethyl)phenyl]-2H-pyrrol-5-one
CID 58365440
4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-2H-pyrrol-5-one
CID 58365266
methyl 2-[2-[3-(2,2-dimethylpropanoyl)-4-hydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-5-oxo-2H-pyrrol-2-yl]phenoxy]acetate
CID 58365321
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 58365829
4-hydroxy-3-(3-hydroxy-2,2-dimethylpropanoyl)-2-(2-methoxyphenyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
CID 58044919
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(methoxymethyl)phenyl]-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one
CID 58045348
3-butanoyl-4-hydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 162558801
4-hydroxy-2-(2-methoxyphenyl)-3-(2-methylpropanoyl)-1-[4-(1,3-thiazol-4-yl)phenyl]-2H-pyrrol-5-one
CID 58365528
4-hydroxy-2-[2-(methoxymethyl)phenyl]-3-(2-methylpropanoyl)-1-(4-phenylphenyl)-2H-pyrrol-5-one
CID 58366118
5-[2-(2-hydroxyethoxy)phenyl]-4-(3-methylbutanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
CID 91808451
2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
CID 58365611
(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 58365530

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one (CID 58365902) is 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one is COCCOc1ccccc1C1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one?
The InChIKey is SSTSXSGKVLGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-16(2)24(29)22-23(19-6-4-5-7-21(19)33-15-14-32-3)28(26(31)25(22)30)18-10-8-17(9-11-18)20-12-13-34-27-20/h4-13,16,23,30H,14-15H2,1-3H3.
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one?
4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one has a molecular weight of 462.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(2-methoxyethoxy)phenyl]-3-(2-methylpropanoyl)-1-[4-(1,2-oxazol-3-yl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 58365902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).