4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride

C20H17ClN2O6 — CID 163330540

IUPAC4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2cccc(O)c2)no1.Cl
InChIInChI=1S/C20H16N2O6.ClH/c1-10-6-7-14(27-10)18(24)16-17(12-4-3-5-13(23)9-12)22(20(26)19(16)25)15-8-11(2)28-21-15;/h3-9,17,23,25H,1-2H3;1H
InChIKeyOOKKBZQCLUQGJE-UHFFFAOYSA-N
MW416.82 g/mol
LogP3.79
Rot. Bonds4

About 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride

4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride (PubChem CID 163330540) has the molecular formula C20H17ClN2O6 and a molecular weight of 416.82 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride
PubChem CID163330540
Molecular FormulaC20H17ClN2O6
Molecular Weight416.82 g/mol
Exact Mass416.08
IUPAC Name4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2cccc(O)c2)no1.Cl
InChIInChI=1S/C20H16N2O6.ClH/c1-10-6-7-14(27-10)18(24)16-17(12-4-3-5-13(23)9-12)22(20(26)19(16)25)15-8-11(2)28-21-15;/h3-9,17,23,25H,1-2H3;1H
InChIKeyOOKKBZQCLUQGJE-UHFFFAOYSA-N
XLogP3.79
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 664243
(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 7473784
2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3313805
(2R)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 41039566
(2R)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 40835948
4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3249549
(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
1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 4711277
(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
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3718935
(2R)-4-hydroxy-2-(3-hydroxyphenyl)-1-(3-methoxypropyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 6998221

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride?
The IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride (CID 163330540) is 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride?
The canonical SMILES for 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride is Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2cccc(O)c2)no1.Cl.
What is the InChIKey of 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride?
The InChIKey is OOKKBZQCLUQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6.ClH/c1-10-6-7-14(27-10)18(24)16-17(12-4-3-5-13(23)9-12)22(20(26)19(16)25)15-8-11(2)28-21-15;/h3-9,17,23,25H,1-2H3;1H.
What are the key properties of 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride?
4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride has a molecular weight of 416.82 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one;hydrochloride is sourced from PubChem (CID 163330540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).