2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione

C24H16FN3O4 — CID 24853805

IUPAC2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H16FN3O4/c25-17-7-5-15(6-8-17)20-21(16-9-11-26-12-10-16)28(32-24(20)31)14-13-27-22(29)18-3-1-2-4-19(18)23(27)30/h1-12H,13-14H2
InChIKeyZUZKGPAPTARTNG-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione

2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 24853805) has the molecular formula C24H16FN3O4 and a molecular weight of 429.41 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID24853805
Molecular FormulaC24H16FN3O4
Molecular Weight429.41 g/mol
Exact Mass429.11
IUPAC Name2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H16FN3O4/c25-17-7-5-15(6-8-17)20-21(16-9-11-26-12-10-16)28(32-24(20)31)14-13-27-22(29)18-3-1-2-4-19(18)23(27)30/h1-12H,13-14H2
InChIKeyZUZKGPAPTARTNG-UHFFFAOYSA-N
XLogP3.61
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione (CID 24853805) is 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ZUZKGPAPTARTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O4/c25-17-7-5-15(6-8-17)20-21(16-9-11-26-12-10-16)28(32-24(20)31)14-13-27-22(29)18-3-1-2-4-19(18)23(27)30/h1-12H,13-14H2.
What are the key properties of 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 429.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)-5-oxo-3-pyridin-4-yl-1,2-oxazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 24853805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).