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

C19H13FN2O4S — CID 3740686

IUPAC2-(4-fluorophenyl)-4-hydroxy-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)C2c2ccc(F)cc2)no1
InChIInChI=1S/C19H13FN2O4S/c1-10-9-14(21-26-10)22-16(11-4-6-12(20)7-5-11)15(18(24)19(22)25)17(23)13-3-2-8-27-13/h2-9,16,24H,1H3
InChIKeyKSMZXWXFGSKSHX-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.97
Rot. Bonds4

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

2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3740686) has the molecular formula C19H13FN2O4S and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3740686
Molecular FormulaC19H13FN2O4S
Molecular Weight384.39 g/mol
Exact Mass384.06
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-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)C2c2ccc(F)cc2)no1
InChIInChI=1S/C19H13FN2O4S/c1-10-9-14(21-26-10)22-16(11-4-6-12(20)7-5-11)15(18(24)19(22)25)17(23)13-3-2-8-27-13/h2-9,16,24H,1H3
InChIKeyKSMZXWXFGSKSHX-UHFFFAOYSA-N
XLogP3.97
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-5-(3-hydroxyphenyl)-1-(5-methylisoxazol-3-yl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3773878
N-(Cyclopentylcarbamoyl-phenyl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-thiophen-2-ylmethyl-succinamide
CID 3210705
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22549211
3-hydroxy-5-(3-methoxyphenyl)-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 662047
3-hydroxy-1-(5-methylisoxazol-3-yl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 3719872
5-(3-bromophenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 3776625
(4E)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(thiophen-2-yl)pyrrolidine-2,3-dione
CID 5389428
N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 2740128
5-(4-bromophenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 3711095
N1-(5-methylisoxazol-3-yl)-N2-((5-(thiophene-3-carbonyl)thiophen-2-yl)methyl)oxalamide
CID 76147347
4-[Hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 661986
4-[(4-Fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 3838392

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3740686) is 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-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)C2c2ccc(F)cc2)no1.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is KSMZXWXFGSKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4S/c1-10-9-14(21-26-10)22-16(11-4-6-12(20)7-5-11)15(18(24)19(22)25)17(23)13-3-2-8-27-13/h2-9,16,24H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 384.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3740686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).