3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one

C26H27N3O6 — CID 58365941

IUPAC3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one
SMILESCc1noc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)C3c3ccccc3OCCO)cc2)n1
InChIInChI=1S/C26H27N3O6/c1-15-27-24(35-28-15)16-9-11-17(12-10-16)29-21(18-7-5-6-8-19(18)34-14-13-30)20(22(31)25(29)33)23(32)26(2,3)4/h5-12,21,30-31H,13-14H2,1-4H3
InChIKeyUEVCTGRYUOKZBF-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.93
Rot. Bonds7

About 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one (PubChem CID 58365941) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one
PubChem CID58365941
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one
SMILESCc1noc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)C3c3ccccc3OCCO)cc2)n1
InChIInChI=1S/C26H27N3O6/c1-15-27-24(35-28-15)16-9-11-17(12-10-16)29-21(18-7-5-6-8-19(18)34-14-13-30)20(22(31)25(29)33)23(32)26(2,3)4/h5-12,21,30-31H,13-14H2,1-4H3
InChIKeyUEVCTGRYUOKZBF-UHFFFAOYSA-N
XLogP3.93
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one (CID 58365941) is 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one is Cc1noc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)(C)C)C3c3ccccc3OCCO)cc2)n1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one?
The InChIKey is UEVCTGRYUOKZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-15-27-24(35-28-15)16-9-11-17(12-10-16)29-21(18-7-5-6-8-19(18)34-14-13-30)20(22(31)25(29)33)23(32)26(2,3)4/h5-12,21,30-31H,13-14H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one has a molecular weight of 477.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-hydroxy-2-[2-(2-hydroxyethoxy)phenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 58365941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).