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

C18H12N2O3 — CID 1479587

IUPAC2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C18H12N2O3/c21-17-14-8-4-5-9-15(14)18(22)20(17)11-13-10-16(19-23-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyPIIYZQZFHGWTAB-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.14
Rot. Bonds3

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

2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 1479587) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
PubChem CID1479587
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C18H12N2O3/c21-17-14-8-4-5-9-15(14)18(22)20(17)11-13-10-16(19-23-13)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyPIIYZQZFHGWTAB-UHFFFAOYSA-N
XLogP3.14
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-oxazol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione (CID 1479587) is 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is PIIYZQZFHGWTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-17-14-8-4-5-9-15(14)18(22)20(17)11-13-10-16(19-23-13)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 304.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 1479587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).