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

C37H27F3N4O5 — CID 164988300

IUPAC5-[2-[2-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(-c2nnc(-c3ccc(N4C(=O)c5ccc(C(C)(c6ccc7c(c6)C(=O)N(C)C7=O)C(F)(F)F)cc5C4=O)c(C)c3)o2)cc1C
InChIInChI=1S/C37H27F3N4O5/c1-18-6-7-21(14-19(18)2)30-41-42-31(49-30)22-8-13-29(20(3)15-22)44-34(47)26-12-10-24(17-28(26)35(44)48)36(4,37(38,39)40)23-9-11-25-27(16-23)33(46)43(5)32(25)45/h6-17H,1-5H3
InChIKeyXCZLLFCTSONCTP-UHFFFAOYSA-N
MW664.64 g/mol
LogP7.22
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-trifluoropropan-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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 164988300) has the molecular formula C37H27F3N4O5 and a molecular weight of 664.64 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-trifluoropropan-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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID164988300
Molecular FormulaC37H27F3N4O5
Molecular Weight664.64 g/mol
Exact Mass664.19
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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(-c2nnc(-c3ccc(N4C(=O)c5ccc(C(C)(c6ccc7c(c6)C(=O)N(C)C7=O)C(F)(F)F)cc5C4=O)c(C)c3)o2)cc1C
InChIInChI=1S/C37H27F3N4O5/c1-18-6-7-21(14-19(18)2)30-41-42-31(49-30)22-8-13-29(20(3)15-22)44-34(47)26-12-10-24(17-28(26)35(44)48)36(4,37(38,39)40)23-9-11-25-27(16-23)33(46)43(5)32(25)45/h6-17H,1-5H3
InChIKeyXCZLLFCTSONCTP-UHFFFAOYSA-N
XLogP7.22
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.64
LogP ≤ 57.22
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-trifluoropropan-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-trifluoropropan-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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 164988300) 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-trifluoropropan-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-trifluoropropan-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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(-c2nnc(-c3ccc(N4C(=O)c5ccc(C(C)(c6ccc7c(c6)C(=O)N(C)C7=O)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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is XCZLLFCTSONCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27F3N4O5/c1-18-6-7-21(14-19(18)2)30-41-42-31(49-30)22-8-13-29(20(3)15-22)44-34(47)26-12-10-24(17-28(26)35(44)48)36(4,37(38,39)40)23-9-11-25-27(16-23)33(46)43(5)32(25)45/h6-17H,1-5H3.
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-trifluoropropan-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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 664.64 g/mol, XLogP of 7.22, 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-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 164988300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).