3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one

C26H20N2O6 — CID 3835066

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C26H20N2O6/c1-16-14-21(27-34-16)28-23(22(25(30)26(28)31)24(29)20-8-5-13-32-20)18-9-11-19(12-10-18)33-15-17-6-3-2-4-7-17/h2-14,23,30H,15H2,1H3
InChIKeyVFPILFNFYRFRGK-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.94
Rot. Bonds7

About 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 3835066) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
PubChem CID3835066
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C26H20N2O6/c1-16-14-21(27-34-16)28-23(22(25(30)26(28)31)24(29)20-8-5-13-32-20)18-9-11-19(12-10-18)33-15-17-6-3-2-4-7-17/h2-14,23,30H,15H2,1H3
InChIKeyVFPILFNFYRFRGK-UHFFFAOYSA-N
XLogP4.94
TPSA106.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 3382341
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3718935
(2S)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7695989
(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697640
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697036
2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3785407
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 7023487
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
(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
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 51047948
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 4274844

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one (CID 3835066) is 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one is Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is VFPILFNFYRFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O6/c1-16-14-21(27-34-16)28-23(22(25(30)26(28)31)24(29)20-8-5-13-32-20)18-9-11-19(12-10-18)33-15-17-6-3-2-4-7-17/h2-14,23,30H,15H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 456.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3835066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).