N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide

C19H12Cl3F6N3O2 — CID 56645662

About N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide (PubChem CID 56645662) has the molecular formula C19H12Cl3F6N3O2 and a molecular weight of 534.67 g/mol. Its IUPAC name is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide.

Molecular Properties

• Compound Name: N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide
• PubChem CID: 56645662
• Molecular Formula: C19H12Cl3F6N3O2
• Molecular Weight: 534.67 g/mol
• Exact Mass: 532.99
• IUPAC Name: N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide
• SMILES: O=C(CC(F)(F)F)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
• InChI: InChI=1S/C19H12Cl3F6N3O2/c20-11-4-10(5-12(21)6-11)17(19(26,27)28)7-15(31-33-17)9-1-2-13(22)14(3-9)29-30-16(32)8-18(23,24)25/h1-6,29H,7-8H2,(H,30,32)
• InChIKey: KYGRRYJVHOPEPG-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 62.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide (CID 56645662) is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide.

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

The canonical SMILES for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide is O=C(CC(F)(F)F)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl.

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

The InChIKey is KYGRRYJVHOPEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3F6N3O2/c20-11-4-10(5-12(21)6-11)17(19(26,27)28)7-15(31-33-17)9-1-2-13(22)14(3-9)29-30-16(32)8-18(23,24)25/h1-6,29H,7-8H2,(H,30,32).

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide has a molecular weight of 534.67 g/mol, XLogP of 6.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide is sourced from PubChem (CID 56645662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).