3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide

C24H24N4O4 — CID 1301247

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2noc(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1
InChIInChI=1S/C24H24N4O4/c1-15(2)28(14-20-25-22(26-32-20)17-10-8-16(3)9-11-17)21(29)12-13-27-23(30)18-6-4-5-7-19(18)24(27)31/h4-11,15H,12-14H2,1-3H3
InChIKeyILVRWPMGHFXCKI-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.47
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide

3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide (PubChem CID 1301247) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide
PubChem CID1301247
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide
SMILESCc1ccc(-c2noc(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1
InChIInChI=1S/C24H24N4O4/c1-15(2)28(14-20-25-22(26-32-20)17-10-8-16(3)9-11-17)21(29)12-13-27-23(30)18-6-4-5-7-19(18)24(27)31/h4-11,15H,12-14H2,1-3H3
InChIKeyILVRWPMGHFXCKI-UHFFFAOYSA-N
XLogP3.47
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide 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 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide (CID 1301247) is 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide is Cc1ccc(-c2noc(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide?
The InChIKey is ILVRWPMGHFXCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15(2)28(14-20-25-22(26-32-20)17-10-8-16(3)9-11-17)21(29)12-13-27-23(30)18-6-4-5-7-19(18)24(27)31/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide has a molecular weight of 432.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 1301247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).