2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione

C37H24F6N4O5 — CID 164988302

IUPAC2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
SMILESCc1cc(-c2nnc(-c3ccc(C)c(C(F)(F)F)c3)o2)ccc1N1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O
InChIInChI=1S/C37H24F6N4O5/c1-17-5-6-20(14-27(17)36(38,39)40)30-45-44-29(52-30)19-7-12-28(18(2)13-19)47-33(50)24-11-9-22(16-26(24)34(47)51)35(3,37(41,42)43)21-8-10-23-25(15-21)32(49)46(4)31(23)48/h5-16H,1-4H3
InChIKeyQUKVQNVZIQPHCK-UHFFFAOYSA-N
MW718.61 g/mol
LogP7.93
Rot. Bonds5

About 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione

2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione (PubChem CID 164988302) has the molecular formula C37H24F6N4O5 and a molecular weight of 718.61 g/mol. Its IUPAC name is 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
PubChem CID164988302
Molecular FormulaC37H24F6N4O5
Molecular Weight718.61 g/mol
Exact Mass718.17
IUPAC Name2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
SMILESCc1cc(-c2nnc(-c3ccc(C)c(C(F)(F)F)c3)o2)ccc1N1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O
InChIInChI=1S/C37H24F6N4O5/c1-17-5-6-20(14-27(17)36(38,39)40)30-45-44-29(52-30)19-7-12-28(18(2)13-19)47-33(50)24-11-9-22(16-26(24)34(47)51)35(3,37(41,42)43)21-8-10-23-25(15-21)32(49)46(4)31(23)48/h5-16H,1-4H3
InChIKeyQUKVQNVZIQPHCK-UHFFFAOYSA-N
XLogP7.93
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 ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione (CID 164988302) is 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione is Cc1cc(-c2nnc(-c3ccc(C)c(C(F)(F)F)c3)o2)ccc1N1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.
What is the InChIKey of 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
The InChIKey is QUKVQNVZIQPHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F6N4O5/c1-17-5-6-20(14-27(17)36(38,39)40)30-45-44-29(52-30)19-7-12-28(18(2)13-19)47-33(50)24-11-9-22(16-26(24)34(47)51)35(3,37(41,42)43)21-8-10-23-25(15-21)32(49)46(4)31(23)48/h5-16H,1-4H3.
What are the key properties of 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?
2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione has a molecular weight of 718.61 g/mol, XLogP of 7.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1,1,1-trifluoro-2-[2-[2-methyl-4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 164988302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).