3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

C18H17FN2O4 — CID 66789250

IUPAC3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2nc(Cc3ccc(F)cc3)co2)=C(O)C1=O
InChIInChI=1S/C18H17FN2O4/c1-10(2)21-8-14(16(23)18(21)24)15(22)17-20-13(9-25-17)7-11-3-5-12(19)6-4-11/h3-6,9-10,23H,7-8H2,1-2H3
InChIKeyWPRGXYAJGCZBLB-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.65
Rot. Bonds5

About 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 66789250) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID66789250
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2nc(Cc3ccc(F)cc3)co2)=C(O)C1=O
InChIInChI=1S/C18H17FN2O4/c1-10(2)21-8-14(16(23)18(21)24)15(22)17-20-13(9-25-17)7-11-3-5-12(19)6-4-11/h3-6,9-10,23H,7-8H2,1-2H3
InChIKeyWPRGXYAJGCZBLB-UHFFFAOYSA-N
XLogP2.65
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 66789715
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
CID 66789283
(4E)-4-[[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
CID 22937823
4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90392955
2-[[5-(4-hydroxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carbonyl)furan-2-yl]methyl]benzoyl azide
CID 175264000
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 22937595
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
CID 115024489
4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
CID 66789224
N-[3-(3,4-dichlorophenyl)propyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 90302353
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91601177
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110708991
3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 66789250) is 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1CC(C(=O)c2nc(Cc3ccc(F)cc3)co2)=C(O)C1=O.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is WPRGXYAJGCZBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-10(2)21-8-14(16(23)18(21)24)15(22)17-20-13(9-25-17)7-11-3-5-12(19)6-4-11/h3-6,9-10,23H,7-8H2,1-2H3.
What are the key properties of 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 344.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 66789250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).