3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide

C16H12Cl3N5O2 — CID 41466930

IUPAC3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3N5O2/c17-10-7-11(18)15(12(19)8-10)23-22-13(25)1-2-14-21-16(24-26-14)9-3-5-20-6-4-9/h3-8,23H,1-2H2,(H,22,25)
InChIKeyBKXISEKLSHTTPH-UHFFFAOYSA-N
MW412.66 g/mol
LogP4.17
Rot. Bonds6

About 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide

3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide (PubChem CID 41466930) has the molecular formula C16H12Cl3N5O2 and a molecular weight of 412.66 g/mol. Its IUPAC name is 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide.

Molecular Properties

Compound Name3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
PubChem CID41466930
Molecular FormulaC16H12Cl3N5O2
Molecular Weight412.66 g/mol
Exact Mass411.01
IUPAC Name3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3N5O2/c17-10-7-11(18)15(12(19)8-10)23-22-13(25)1-2-14-21-16(24-26-14)9-3-5-20-6-4-9/h3-8,23H,1-2H2,(H,22,25)
InChIKeyBKXISEKLSHTTPH-UHFFFAOYSA-N
XLogP4.17
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 41467160
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-[1-(2,4-dichlorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46508453
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775
N-(3-hydroxy-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30212736
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30238639
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The IUPAC name of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide (CID 41466930) is 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide.
What is the SMILES notation for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The canonical SMILES for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide is O=C(CCc1nc(-c2ccncc2)no1)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The InChIKey is BKXISEKLSHTTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N5O2/c17-10-7-11(18)15(12(19)8-10)23-22-13(25)1-2-14-21-16(24-26-14)9-3-5-20-6-4-9/h3-8,23H,1-2H2,(H,22,25).
What are the key properties of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide has a molecular weight of 412.66 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide is sourced from PubChem (CID 41466930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).