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

C25H19N3O4 — CID 166253942

IUPAC2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione
SMILESCc1ccccc1-c1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)n1
InChIInChI=1S/C25H19N3O4/c1-14-7-3-4-8-17(14)22-26-23(32-27-22)20-12-16(11-15(2)21(20)29)13-28-24(30)18-9-5-6-10-19(18)25(28)31/h3-12,29H,13H2,1-2H3
InChIKeySPRQSMPWFIHVEL-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.52
Rot. Bonds4

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

2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione (PubChem CID 166253942) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione
PubChem CID166253942
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione
SMILESCc1ccccc1-c1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)n1
InChIInChI=1S/C25H19N3O4/c1-14-7-3-4-8-17(14)22-26-23(32-27-22)20-12-16(11-15(2)21(20)29)13-28-24(30)18-9-5-6-10-19(18)25(28)31/h3-12,29H,13H2,1-2H3
InChIKeySPRQSMPWFIHVEL-UHFFFAOYSA-N
XLogP4.52
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione (CID 166253942) is 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione is Cc1ccccc1-c1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2O)n1.
What is the InChIKey of 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione?
The InChIKey is SPRQSMPWFIHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-14-7-3-4-8-17(14)22-26-23(32-27-22)20-12-16(11-15(2)21(20)29)13-28-24(30)18-9-5-6-10-19(18)25(28)31/h3-12,29H,13H2,1-2H3.
What are the key properties of 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione?
2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione has a molecular weight of 425.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-3-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 166253942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).