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

C19H14N2O5S — CID 3773878

IUPAC4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccc(O)c2)no1
InChIInChI=1S/C19H14N2O5S/c1-10-8-14(20-26-10)21-16(11-4-2-5-12(22)9-11)15(18(24)19(21)25)17(23)13-6-3-7-27-13/h2-9,16,22,24H,1H3
InChIKeyJBXUHOSIYZMGQC-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.53
Rot. Bonds4

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

4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3773878) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3773878
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccc(O)c2)no1
InChIInChI=1S/C19H14N2O5S/c1-10-8-14(20-26-10)21-16(11-4-2-5-12(22)9-11)15(18(24)19(21)25)17(23)13-6-3-7-27-13/h2-9,16,22,24H,1H3
InChIKeyJBXUHOSIYZMGQC-UHFFFAOYSA-N
XLogP3.53
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3773878) is 4-hydroxy-2-(3-hydroxyphenyl)-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-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2cccc(O)c2)no1.
What is the InChIKey of 4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is JBXUHOSIYZMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c1-10-8-14(20-26-10)21-16(11-4-2-5-12(22)9-11)15(18(24)19(21)25)17(23)13-6-3-7-27-13/h2-9,16,22,24H,1H3.
What are the key properties of 4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-hydroxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 382.40 g/mol, XLogP of 3.53, 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)-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3773878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).