7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide

C24H21Cl2F4N3O4S — CID 135151250

About 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide

7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 135151250) has the molecular formula C24H21Cl2F4N3O4S and a molecular weight of 594.41 g/mol. Its IUPAC name is 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

• Compound Name: 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide
• PubChem CID: 135151250
• Molecular Formula: C24H21Cl2F4N3O4S
• Molecular Weight: 594.41 g/mol
• Exact Mass: 593.06
• IUPAC Name: 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide
• SMILES: CS(=O)(=O)N1CC(NC(=O)c2ccc(C3=NOC(c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)c3c2CCC3)C1
• InChI: InChI=1S/C24H21Cl2F4N3O4S/c1-38(35,36)33-10-13(11-33)31-22(34)17-6-5-16(14-3-2-4-15(14)17)20-9-23(37-32-20,24(28,29)30)12-7-18(25)21(27)19(26)8-12/h5-8,13H,2-4,9-11H2,1H3,(H,31,34)
• InChIKey: NLIDXYYPWDAFCH-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 88.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.41
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide?

The IUPAC name of 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide (CID 135151250) is 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide.

What is the SMILES notation for 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide?

The canonical SMILES for 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide is CS(=O)(=O)N1CC(NC(=O)c2ccc(C3=NOC(c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)c3c2CCC3)C1.

What is the InChIKey of 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide?

The InChIKey is NLIDXYYPWDAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F4N3O4S/c1-38(35,36)33-10-13(11-33)31-22(34)17-6-5-16(14-3-2-4-15(14)17)20-9-23(37-32-20,24(28,29)30)12-7-18(25)21(27)19(26)8-12/h5-8,13H,2-4,9-11H2,1H3,(H,31,34).

What are the key properties of 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide?

7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 594.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylsulfonylazetidin-3-yl)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 135151250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).