2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide

C23H16Cl2F3N3O2 — CID 145493708

About 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide

2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 145493708) has the molecular formula C23H16Cl2F3N3O2 and a molecular weight of 494.30 g/mol. Its IUPAC name is 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 145493708
• Molecular Formula: C23H16Cl2F3N3O2
• Molecular Weight: 494.30 g/mol
• Exact Mass: 493.06
• IUPAC Name: 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)cc(C2(C(F)(F)F)CC(c3cccc(NC(=O)c4cccnc4Cl)c3)=NO2)c1
• InChI: InChI=1S/C23H16Cl2F3N3O2/c1-13-8-15(11-16(24)9-13)22(23(26,27)28)12-19(31-33-22)14-4-2-5-17(10-14)30-21(32)18-6-3-7-29-20(18)25/h2-11H,12H2,1H3,(H,30,32)
• InChIKey: DZXKDLKDRIJYSM-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 63.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.30
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide (CID 145493708) is 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide is Cc1cc(Cl)cc(C2(C(F)(F)F)CC(c3cccc(NC(=O)c4cccnc4Cl)c3)=NO2)c1.

What is the InChIKey of 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is DZXKDLKDRIJYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3O2/c1-13-8-15(11-16(24)9-13)22(23(26,27)28)12-19(31-33-22)14-4-2-5-17(10-14)30-21(32)18-6-3-7-29-20(18)25/h2-11H,12H2,1H3,(H,30,32).

What are the key properties of 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide?

2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 494.30 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[5-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 145493708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).