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

C20H16N2O5S — CID 662047

IUPAC4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1
InChIInChI=1S/C20H16N2O5S/c1-11-9-15(21-27-11)22-17(12-5-3-6-13(10-12)26-2)16(19(24)20(22)25)18(23)14-7-4-8-28-14/h3-10,17,24H,1-2H3
InChIKeyHNTGEFIVOJSMHJ-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.84
Rot. Bonds5

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

4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 662047) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID662047
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1
InChIInChI=1S/C20H16N2O5S/c1-11-9-15(21-27-11)22-17(12-5-3-6-13(10-12)26-2)16(19(24)20(22)25)18(23)14-7-4-8-28-14/h3-10,17,24H,1-2H3
InChIKeyHNTGEFIVOJSMHJ-UHFFFAOYSA-N
XLogP3.84
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 662047) is 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)c1.
What is the InChIKey of 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is HNTGEFIVOJSMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-11-9-15(21-27-11)22-17(12-5-3-6-13(10-12)26-2)16(19(24)20(22)25)18(23)14-7-4-8-28-14/h3-10,17,24H,1-2H3.
What are the key properties of 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 396.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).