5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C14H10ClN3O2 — CID 1473390

IUPAC5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3ccc(Cl)nc3)n2)c1
InChIInChI=1S/C14H10ClN3O2/c1-19-11-4-2-3-9(7-11)13-17-14(20-18-13)10-5-6-12(15)16-8-10/h2-8H,1H3
InChIKeyYYHQEROCIPNHFR-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.46
Rot. Bonds3

About 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 1473390) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID1473390
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(-c3ccc(Cl)nc3)n2)c1
InChIInChI=1S/C14H10ClN3O2/c1-19-11-4-2-3-9(7-11)13-17-14(20-18-13)10-5-6-12(15)16-8-10/h2-8H,1H3
InChIKeyYYHQEROCIPNHFR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 1473390) is 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(-c3ccc(Cl)nc3)n2)c1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is YYHQEROCIPNHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-19-11-4-2-3-9(7-11)13-17-14(20-18-13)10-5-6-12(15)16-8-10/h2-8H,1H3.
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-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-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1473390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).