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

C22H13N3O3 — CID 168516715

IUPAC2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C22H13N3O3/c26-21-15-10-4-5-11-16(15)22(27)25(21)18-13-7-6-12-17(18)20-23-19(24-28-20)14-8-2-1-3-9-14/h1-13H
InChIKeyPVQKVDSBKBLTHZ-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.20
Rot. Bonds3

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

2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione (PubChem CID 168516715) has the molecular formula C22H13N3O3 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
PubChem CID168516715
Molecular FormulaC22H13N3O3
Molecular Weight367.36 g/mol
Exact Mass367.10
IUPAC Name2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C22H13N3O3/c26-21-15-10-4-5-11-16(15)22(27)25(21)18-13-7-6-12-17(18)20-23-19(24-28-20)14-8-2-1-3-9-14/h1-13H
InChIKeyPVQKVDSBKBLTHZ-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-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 19324413
4-amino-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327920
3-[4-(dimethylamino)phenyl]-4-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-5-one
CID 146591739
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
5-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one
CID 53034937
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pentyl]isoindole-1,3-dione
CID 2231979
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde
CID 169332653
2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one
CID 156568699
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione (CID 168516715) is 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
The InChIKey is PVQKVDSBKBLTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O3/c26-21-15-10-4-5-11-16(15)22(27)25(21)18-13-7-6-12-17(18)20-23-19(24-28-20)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione?
2-[2-(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-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).