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

C20H15Cl2F6N3O2 — CID 56645660

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

N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide (PubChem CID 56645660) has the molecular formula C20H15Cl2F6N3O2 and a molecular weight of 514.25 g/mol. Its IUPAC name is N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide.

Molecular Properties

• Compound Name: N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide
• PubChem CID: 56645660
• Molecular Formula: C20H15Cl2F6N3O2
• Molecular Weight: 514.25 g/mol
• Exact Mass: 513.04
• IUPAC Name: N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide
• SMILES: Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NNC(=O)CC(F)(F)F
• InChI: InChI=1S/C20H15Cl2F6N3O2/c1-10-2-3-11(4-15(10)29-30-17(32)9-19(23,24)25)16-8-18(33-31-16,20(26,27)28)12-5-13(21)7-14(22)6-12/h2-7,29H,8-9H2,1H3,(H,30,32)
• InChIKey: SEAURQNTQWBHBS-UHFFFAOYSA-N
• XLogP: 6.28
• 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	514.25
LogP ≤ 5	6.28
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'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide?

The IUPAC name of N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide (CID 56645660) is N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide.

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

The canonical SMILES for N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide is Cc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1NNC(=O)CC(F)(F)F.

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

The InChIKey is SEAURQNTQWBHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F6N3O2/c1-10-2-3-11(4-15(10)29-30-17(32)9-19(23,24)25)16-8-18(33-31-16,20(26,27)28)12-5-13(21)7-14(22)6-12/h2-7,29H,8-9H2,1H3,(H,30,32).

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

N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide has a molecular weight of 514.25 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-3,3,3-trifluoropropanehydrazide is sourced from PubChem (CID 56645660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).