2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione

C23H16N2O4 — CID 1342111

IUPAC2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2ccc(-c3nc4cc(C)ccc4o3)cc2C1=O
InChIInChI=1S/C23H16N2O4/c1-13-7-10-19-17(11-13)24-21(29-19)14-8-9-15-16(12-14)23(27)25(22(15)26)18-5-3-4-6-20(18)28-2/h3-12H,1-2H3
InChIKeyJTKUDRWJDHLEJV-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.61
Rot. Bonds3

About 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione

2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione (PubChem CID 1342111) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione
PubChem CID1342111
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2ccc(-c3nc4cc(C)ccc4o3)cc2C1=O
InChIInChI=1S/C23H16N2O4/c1-13-7-10-19-17(11-13)24-21(29-19)14-8-9-15-16(12-14)23(27)25(22(15)26)18-5-3-4-6-20(18)28-2/h3-12H,1-2H3
InChIKeyJTKUDRWJDHLEJV-UHFFFAOYSA-N
XLogP4.61
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.61
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-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione (CID 1342111) is 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione is COc1ccccc1N1C(=O)c2ccc(-c3nc4cc(C)ccc4o3)cc2C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione?
The InChIKey is JTKUDRWJDHLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-13-7-10-19-17(11-13)24-21(29-19)14-8-9-15-16(12-14)23(27)25(22(15)26)18-5-3-4-6-20(18)28-2/h3-12H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione?
2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione has a molecular weight of 384.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(5-methyl-1,3-benzoxazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 1342111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).