5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C14H10ClN3O2 — CID 975862

IUPAC5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H10ClN3O2/c1-19-12-3-2-10(15)8-11(12)14-17-13(18-20-14)9-4-6-16-7-5-9/h2-8H,1H3
InChIKeyQKRFWORMTMNZKB-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.46
Rot. Bonds3

About 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 975862) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID975862
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H10ClN3O2/c1-19-12-3-2-10(15)8-11(12)14-17-13(18-20-14)9-4-6-16-7-5-9/h2-8H,1H3
InChIKeyQKRFWORMTMNZKB-UHFFFAOYSA-N
XLogP3.46
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 975862) is 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is QKRFWORMTMNZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-19-12-3-2-10(15)8-11(12)14-17-13(18-20-14)9-4-6-16-7-5-9/h2-8H,1H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 287.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 975862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).