1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione

C15H15FN2O4 — CID 135965913

IUPAC1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2
InChIKeyQBGLVEXGOZXCRT-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 135965913) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID135965913
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2
InChIKeyQBGLVEXGOZXCRT-UHFFFAOYSA-N
XLogP1.56
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)acetamide
CID 135966020
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pivalamide
CID 135966062
N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)-3-methylbutanamide
CID 136123461
N-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-3-methylbutanamide
CID 136123462
4-(5-Methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-3-yl)phenol
CID 136190365
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
CID 135973100
2-[3-(2-Fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
CID 135973111
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-(4-oxohexyl)acetamide
CID 136416213
2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
CID 135973039
2-[3-(4-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-pyrrolidin-1-ylethanone
CID 135973050
2-(3-(4-Hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)-N-methyl-N-propylacetamide
CID 135973066
N-cyclohexyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methylacetamide
CID 135973074

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione (CID 135965913) is 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1.
What is the InChIKey of 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is QBGLVEXGOZXCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2.
What are the key properties of 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 306.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 135965913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).