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

C21H18N2O7 — CID 7697640

IUPAC(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
SMILESCCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O
InChIInChI=1S/C21H18N2O7/c1-3-28-15-10-12(6-7-13(15)24)18-17(19(25)14-5-4-8-29-14)20(26)21(27)23(18)16-9-11(2)30-22-16/h4-10,18,24,26H,3H2,1-2H3/t18-/m1/s1
InChIKeyBANTZRXWPPODQG-GOSISDBHSA-N
MW410.38 g/mol
LogP3.46
Rot. Bonds6

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

(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one (PubChem CID 7697640) has the molecular formula C21H18N2O7 and a molecular weight of 410.38 g/mol. Its IUPAC name is (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
PubChem CID7697640
Molecular FormulaC21H18N2O7
Molecular Weight410.38 g/mol
Exact Mass410.11
IUPAC Name(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
SMILESCCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O
InChIInChI=1S/C21H18N2O7/c1-3-28-15-10-12(6-7-13(15)24)18-17(19(25)14-5-4-8-29-14)20(26)21(27)23(18)16-9-11(2)30-22-16/h4-10,18,24,26H,3H2,1-2H3/t18-/m1/s1
InChIKeyBANTZRXWPPODQG-GOSISDBHSA-N
XLogP3.46
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 3835066
(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
(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)-1-benzyl-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 7274668
(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-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 21008399
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
CID 3423069
1-(3,4-difluorophenyl)-2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108703633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
The IUPAC name of (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) is (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is CCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O.
What is the InChIKey of (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
The InChIKey is BANTZRXWPPODQG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18N2O7/c1-3-28-15-10-12(6-7-13(15)24)18-17(19(25)14-5-4-8-29-14)20(26)21(27)23(18)16-9-11(2)30-22-16/h4-10,18,24,26H,3H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one?
(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one has a molecular weight of 410.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 7697640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).