3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide

C24H28N6O5 — CID 90848510

IUPAC3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide
SMILESCOc1cccc(C2(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)N=CON2)c1OC
InChIInChI=1S/C24H28N6O5/c1-33-19-10-5-9-18(21(19)34-2)24(27-15-35-30-24)12-11-20(31)25-13-6-14-26-22-16-7-3-4-8-17(16)23(32)29-28-22/h3-5,7-10,15,30H,6,11-14H2,1-2H3,(H,25,31)(H,26,28)(H,29,32)
InChIKeyLJQLJSVNGYSECX-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.05
Rot. Bonds11

About 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide

3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide (PubChem CID 90848510) has the molecular formula C24H28N6O5 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide
PubChem CID90848510
Molecular FormulaC24H28N6O5
Molecular Weight480.53 g/mol
Exact Mass480.21
IUPAC Name3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide
SMILESCOc1cccc(C2(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)N=CON2)c1OC
InChIInChI=1S/C24H28N6O5/c1-33-19-10-5-9-18(21(19)34-2)24(27-15-35-30-24)12-11-20(31)25-13-6-14-26-22-16-7-3-4-8-17(16)23(32)29-28-22/h3-5,7-10,15,30H,6,11-14H2,1-2H3,(H,25,31)(H,26,28)(H,29,32)
InChIKeyLJQLJSVNGYSECX-UHFFFAOYSA-N
XLogP2.05
TPSA138.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide 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-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide?
The IUPAC name of 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide (CID 90848510) is 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide.
What is the SMILES notation for 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide?
The canonical SMILES for 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide is COc1cccc(C2(CCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)N=CON2)c1OC.
What is the InChIKey of 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide?
The InChIKey is LJQLJSVNGYSECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O5/c1-33-19-10-5-9-18(21(19)34-2)24(27-15-35-30-24)12-11-20(31)25-13-6-14-26-22-16-7-3-4-8-17(16)23(32)29-28-22/h3-5,7-10,15,30H,6,11-14H2,1-2H3,(H,25,31)(H,26,28)(H,29,32).
What are the key properties of 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide?
3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide has a molecular weight of 480.53 g/mol, XLogP of 2.05, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dimethoxyphenyl)-2H-1,2,4-oxadiazol-3-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide is sourced from PubChem (CID 90848510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).