5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C37H24F6N4O5 — CID 164812956

IUPAC5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(-c2nnc(-c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)o2)cc1C
InChIInChI=1S/C37H24F6N4O5/c1-17-5-6-20(13-18(17)2)29-44-45-30(52-29)21-7-12-28(19(3)14-21)47-33(50)25-11-9-23(16-27(25)34(47)51)35(36(38,39)40,37(41,42)43)22-8-10-24-26(15-22)32(49)46(4)31(24)48/h5-16H,1-4H3
InChIKeyGERCUKJJJICOSB-UHFFFAOYSA-N
MW718.61 g/mol
LogP7.77
Rot. Bonds5

About 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 164812956) has the molecular formula C37H24F6N4O5 and a molecular weight of 718.61 g/mol. Its IUPAC name is 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID164812956
Molecular FormulaC37H24F6N4O5
Molecular Weight718.61 g/mol
Exact Mass718.17
IUPAC Name5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(-c2nnc(-c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)o2)cc1C
InChIInChI=1S/C37H24F6N4O5/c1-17-5-6-20(13-18(17)2)29-44-45-30(52-29)21-7-12-28(19(3)14-21)47-33(50)25-11-9-23(16-27(25)34(47)51)35(36(38,39)40,37(41,42)43)22-8-10-24-26(15-22)32(49)46(4)31(24)48/h5-16H,1-4H3
InChIKeyGERCUKJJJICOSB-UHFFFAOYSA-N
XLogP7.77
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.61
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-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 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 164812956) is 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(-c2nnc(-c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)o2)cc1C.
What is the InChIKey of 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is GERCUKJJJICOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N4O5/c1-17-5-6-20(13-18(17)2)29-44-45-30(52-29)21-7-12-28(19(3)14-21)47-33(50)25-11-9-23(16-27(25)34(47)51)35(36(38,39)40,37(41,42)43)22-8-10-24-26(15-22)32(49)46(4)31(24)48/h5-16H,1-4H3.
What are the key properties of 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 718.61 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 164812956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).