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

C19H15FN2O4 — CID 135857233

IUPAC2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2
InChIKeyKGEKKGLPXDUQNQ-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.71
Rot. Bonds4

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

2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 135857233) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID135857233
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1
InChIInChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2
InChIKeyKGEKKGLPXDUQNQ-UHFFFAOYSA-N
XLogP2.71
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.71
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

4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135540895
4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)benzamide
CID 135966063
2-(3-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)propyl)isoindoline-1,3-dione
CID 135966064
2-((3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)isoindoline-1,3-dione
CID 135965912
2-[2-(4-Hydroxyphenyl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 577650
2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione
CID 139084315
2-[(3-Fluoro-4-hydroxyphenyl)methyl]isoindole-1,3-dione
CID 58053734
2-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]isoindole-1,3-dione
CID 166025340
2-[3-(2,5-Difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]isoindole-1,3-dione
CID 174189029
5,6-Difluoro-2-[(4-hydroxyphenyl)methyl]isoindole-1,3-dione
CID 114332799
5,6-Difluoro-2-[(2-hydroxyphenyl)methyl]isoindole-1,3-dione
CID 114332827
2-[1-(2-Fluoro-4-hydroxyphenyl)ethoxy]isoindole-1,3-dione
CID 121005400

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (CID 135857233) is 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC1CC(c2ccc(O)c(F)c2)=NO1.
What is the InChIKey of 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is KGEKKGLPXDUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2.
What are the key properties of 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 354.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 135857233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).