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

C18H10Cl3F6N3O2 — CID 56645862

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide (PubChem CID 56645862) has the molecular formula C18H10Cl3F6N3O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide.

Molecular Properties

• Compound Name: N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide
• PubChem CID: 56645862
• Molecular Formula: C18H10Cl3F6N3O2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 518.97
• IUPAC Name: N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide
• SMILES: O=C(NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl)C(F)(F)F
• InChI: InChI=1S/C18H10Cl3F6N3O2/c19-10-4-9(5-11(20)6-10)16(18(25,26)27)7-14(30-32-16)8-1-2-12(21)13(3-8)28-29-15(31)17(22,23)24/h1-6,28H,7H2,(H,29,31)
• InChIKey: YOOUHMQJAQEEKJ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 62.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	6.23
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]-2,2,2-trifluoroacetohydrazide?

The IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide (CID 56645862) is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide.

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

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

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

The InChIKey is YOOUHMQJAQEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F6N3O2/c19-10-4-9(5-11(20)6-10)16(18(25,26)27)7-14(30-32-16)8-1-2-12(21)13(3-8)28-29-15(31)17(22,23)24/h1-6,28H,7H2,(H,29,31).

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2,2,2-trifluoroacetohydrazide has a molecular weight of 520.64 g/mol, XLogP of 6.23, 4 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]-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 56645862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).