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

C20H18Cl2F3N3O2 — CID 56645658

IUPACN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide
SMILESCC(=O)N(C)N(C)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C20H18Cl2F3N3O2/c1-12(29)27(2)28(3)17-6-4-5-13(7-17)18-11-19(30-26-18,20(23,24)25)14-8-15(21)10-16(22)9-14/h4-10H,11H2,1-3H3
InChIKeyCTADAQAAHSETNS-UHFFFAOYSA-N
MW460.28 g/mol
LogP5.41
Rot. Bonds4

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

N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide (PubChem CID 56645658) has the molecular formula C20H18Cl2F3N3O2 and a molecular weight of 460.28 g/mol. Its IUPAC name is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide
PubChem CID56645658
Molecular FormulaC20H18Cl2F3N3O2
Molecular Weight460.28 g/mol
Exact Mass459.07
IUPAC NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide
SMILESCC(=O)N(C)N(C)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C20H18Cl2F3N3O2/c1-12(29)27(2)28(3)17-6-4-5-13(7-17)18-11-19(30-26-18,20(23,24)25)14-8-15(21)10-16(22)9-14/h4-10H,11H2,1-3H3
InChIKeyCTADAQAAHSETNS-UHFFFAOYSA-N
XLogP5.41
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.28
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide?
The IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide (CID 56645658) is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide.
What is the SMILES notation for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide?
The canonical SMILES for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide is CC(=O)N(C)N(C)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1.
What is the InChIKey of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide?
The InChIKey is CTADAQAAHSETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N3O2/c1-12(29)27(2)28(3)17-6-4-5-13(7-17)18-11-19(30-26-18,20(23,24)25)14-8-15(21)10-16(22)9-14/h4-10H,11H2,1-3H3.
What are the key properties of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide?
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide has a molecular weight of 460.28 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N,N'-dimethylacetohydrazide is sourced from PubChem (CID 56645658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).