2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide

C24H23Cl2F4N3O2 — CID 162429215

About 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide

2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide (PubChem CID 162429215) has the molecular formula C24H23Cl2F4N3O2 and a molecular weight of 532.37 g/mol. Its IUPAC name is 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide
• PubChem CID: 162429215
• Molecular Formula: C24H23Cl2F4N3O2
• Molecular Weight: 532.37 g/mol
• Exact Mass: 531.11
• IUPAC Name: 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide
• SMILES: CC(C)(C)CNC(=O)c1ccc2c(c1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2
• InChI: InChI=1S/C24H23Cl2F4N3O2/c1-22(2,3)12-31-21(34)13-4-5-14-10-33(11-15(14)6-13)19-9-23(35-32-19,24(28,29)30)16-7-17(25)20(27)18(26)8-16/h4-8H,9-12H2,1-3H3,(H,31,34)
• InChIKey: MOTPUTCNONLKTL-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.37
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide?

The IUPAC name of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide (CID 162429215) is 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide.

What is the SMILES notation for 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide?

The canonical SMILES for 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide is CC(C)(C)CNC(=O)c1ccc2c(c1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2.

What is the InChIKey of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide?

The InChIKey is MOTPUTCNONLKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F4N3O2/c1-22(2,3)12-31-21(34)13-4-5-14-10-33(11-15(14)6-13)19-9-23(35-32-19,24(28,29)30)16-7-17(25)20(27)18(26)8-16/h4-8H,9-12H2,1-3H3,(H,31,34).

What are the key properties of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide?

2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 532.37 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2,2-dimethylpropyl)-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 162429215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).