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

C17H11N3O3 — CID 973281

IUPAC2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H11N3O3/c21-16-12-8-4-5-9-13(12)17(22)20(16)10-14-18-15(19-23-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyKBKAAXBPTLCJPV-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.53
Rot. Bonds3

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

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 973281) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
PubChem CID973281
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H11N3O3/c21-16-12-8-4-5-9-13(12)17(22)20(16)10-14-18-15(19-23-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyKBKAAXBPTLCJPV-UHFFFAOYSA-N
XLogP2.53
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione (CID 973281) is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is KBKAAXBPTLCJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-16-12-8-4-5-9-13(12)17(22)20(16)10-14-18-15(19-23-14)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione?
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 305.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 973281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).