2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione

C22H13N3O3 — CID 19324413

IUPAC2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H13N3O3/c26-21-17-11-4-5-12-18(17)22(27)25(21)16-10-6-9-15(13-16)20-23-19(24-28-20)14-7-2-1-3-8-14/h1-13H
InChIKeyHLIWIFVIJIBWFU-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.20
Rot. Bonds3

About 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione

2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione (PubChem CID 19324413) has the molecular formula C22H13N3O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
PubChem CID19324413
Molecular FormulaC22H13N3O3
Molecular Weight367.36 g/mol
Exact Mass367.10
IUPAC Name2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H13N3O3/c26-21-17-11-4-5-12-18(17)22(27)25(21)16-10-6-9-15(13-16)20-23-19(24-28-20)14-7-2-1-3-8-14/h1-13H
InChIKeyHLIWIFVIJIBWFU-UHFFFAOYSA-N
XLogP4.20
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione
CID 132797663
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]isoindole-1,3-dione
CID 168516694
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 56508067
5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 141437647
2-(2-phenyl-1,3-benzoxazol-6-yl)isoindole-1,3-dione
CID 168517971
5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione (CID 19324413) is 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
The InChIKey is HLIWIFVIJIBWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O3/c26-21-17-11-4-5-12-18(17)22(27)25(21)16-10-6-9-15(13-16)20-23-19(24-28-20)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione has a molecular weight of 367.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 19324413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).