2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione

C25H24N4O4 — CID 60525374

IUPAC2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC(c5nc(C)no5)CC4)cc3C2=O)c1
InChIInChI=1S/C25H24N4O4/c1-14-4-5-15(2)21(12-14)29-24(31)19-7-6-18(13-20(19)25(29)32)23(30)28-10-8-17(9-11-28)22-26-16(3)27-33-22/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyNPQOYWYRDBHWGI-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.82
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione

2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione (PubChem CID 60525374) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione
PubChem CID60525374
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC(c5nc(C)no5)CC4)cc3C2=O)c1
InChIInChI=1S/C25H24N4O4/c1-14-4-5-15(2)21(12-14)29-24(31)19-7-6-18(13-20(19)25(29)32)23(30)28-10-8-17(9-11-28)22-26-16(3)27-33-22/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyNPQOYWYRDBHWGI-UHFFFAOYSA-N
XLogP3.82
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione (CID 60525374) is 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC(c5nc(C)no5)CC4)cc3C2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
The InChIKey is NPQOYWYRDBHWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-14-4-5-15(2)21(12-14)29-24(31)19-7-6-18(13-20(19)25(29)32)23(30)28-10-8-17(9-11-28)22-26-16(3)27-33-22/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione?
2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione has a molecular weight of 444.49 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 60525374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).