3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole

C14H8Cl3N3O2 — CID 2203681

IUPAC3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1cc(Cl)c(OCc2nc(-c3ccccn3)no2)cc1Cl
InChIInChI=1S/C14H8Cl3N3O2/c15-8-5-10(17)12(6-9(8)16)21-7-13-19-14(20-22-13)11-3-1-2-4-18-11/h1-6H,7H2
InChIKeyXLNZVICEBHDPRL-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.67
Rot. Bonds4

About 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole

3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 2203681) has the molecular formula C14H8Cl3N3O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID2203681
Molecular FormulaC14H8Cl3N3O2
Molecular Weight356.60 g/mol
Exact Mass354.97
IUPAC Name3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole
SMILESClc1cc(Cl)c(OCc2nc(-c3ccccn3)no2)cc1Cl
InChIInChI=1S/C14H8Cl3N3O2/c15-8-5-10(17)12(6-9(8)16)21-7-13-19-14(20-22-13)11-3-1-2-4-18-11/h1-6H,7H2
InChIKeyXLNZVICEBHDPRL-UHFFFAOYSA-N
XLogP4.67
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole (CID 2203681) is 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole is Clc1cc(Cl)c(OCc2nc(-c3ccccn3)no2)cc1Cl.
What is the InChIKey of 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is XLNZVICEBHDPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O2/c15-8-5-10(17)12(6-9(8)16)21-7-13-19-14(20-22-13)11-3-1-2-4-18-11/h1-6H,7H2.
What are the key properties of 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole?
3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 356.60 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-[(2,4,5-trichlorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2203681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).