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

C19H15Cl3F3N3O2 — CID 56645861

IUPACN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide
SMILESCCC(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C19H15Cl3F3N3O2/c1-2-17(29)27-26-15-5-10(3-4-14(15)22)16-9-18(30-28-16,19(23,24)25)11-6-12(20)8-13(21)7-11/h3-8,26H,2,9H2,1H3,(H,27,29)
InChIKeyYHTBIOLKUGAJOH-UHFFFAOYSA-N
MW480.70 g/mol
LogP6.08
Rot. Bonds5

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

N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide (PubChem CID 56645861) has the molecular formula C19H15Cl3F3N3O2 and a molecular weight of 480.70 g/mol. Its IUPAC name is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide
PubChem CID56645861
Molecular FormulaC19H15Cl3F3N3O2
Molecular Weight480.70 g/mol
Exact Mass479.02
IUPAC NameN'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide
SMILESCCC(=O)NNc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C19H15Cl3F3N3O2/c1-2-17(29)27-26-15-5-10(3-4-14(15)22)16-9-18(30-28-16,19(23,24)25)11-6-12(20)8-13(21)7-11/h3-8,26H,2,9H2,1H3,(H,27,29)
InChIKeyYHTBIOLKUGAJOH-UHFFFAOYSA-N
XLogP6.08
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 56.08
H-Bond Donors ≤ 52
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'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide?
The IUPAC name of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide (CID 56645861) is N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide.
What is the SMILES notation for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide?
The canonical SMILES for N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide is CCC(=O)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]propanehydrazide?
The InChIKey is YHTBIOLKUGAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3F3N3O2/c1-2-17(29)27-26-15-5-10(3-4-14(15)22)16-9-18(30-28-16,19(23,24)25)11-6-12(20)8-13(21)7-11/h3-8,26H,2,9H2,1H3,(H,27,29).
What are the key properties of N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide?
N'-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]propanehydrazide has a molecular weight of 480.70 g/mol, XLogP of 6.08, 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]propanehydrazide is sourced from PubChem (CID 56645861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).