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

C14H9Cl2N3O2 — CID 700597

IUPAC5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccncc3)no2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-10-1-2-12(11(16)7-10)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2
InChIKeyYMFULVYIDPAIIM-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.02
Rot. Bonds4

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

5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 700597) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID700597
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccncc3)no2)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-10-1-2-12(11(16)7-10)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2
InChIKeyYMFULVYIDPAIIM-UHFFFAOYSA-N
XLogP4.02
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555
4-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2274654
N-(4-{5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl}phenyl)nicotinamide
CID 3242453
N~4~-(4-{5-[1-(2,4-Dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-YL}phenyl)isonicotinamide
CID 4457839
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
4-{5-[(4-Chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 793956
4-{5-[(4-Chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 870479
5-[(2-Chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 829956
3-{5-[(3-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845224
2-{5-[(4-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845228
2-{5-[(2-Chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 870497
N-(5-chloropyridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 871057

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 700597) is 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is YMFULVYIDPAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-10-1-2-12(11(16)7-10)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2.
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 322.15 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 700597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).