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

C14H10ClN3O2 — CID 793956

IUPAC5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-11-1-3-12(4-2-11)19-9-13-17-14(18-20-13)10-5-7-16-8-6-10/h1-8H,9H2
InChIKeyDXPSEJAAAVTTGJ-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.36
Rot. Bonds4

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

5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 793956) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID793956
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C14H10ClN3O2/c15-11-1-3-12(4-2-11)19-9-13-17-14(18-20-13)10-5-7-16-8-6-10/h1-8H,9H2
InChIKeyDXPSEJAAAVTTGJ-UHFFFAOYSA-N
XLogP3.36
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 793956) is 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is DXPSEJAAAVTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-11-1-3-12(4-2-11)19-9-13-17-14(18-20-13)10-5-7-16-8-6-10/h1-8H,9H2.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 287.71 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 793956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).