5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C20H14ClN3O2 — CID 1294892

IUPAC5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H14ClN3O2/c1-25-19-15(11-12-17(22-19)13-7-3-2-4-8-13)18-23-20(26-24-18)14-9-5-6-10-16(14)21/h2-12H,1H3
InChIKeyOMDASASKRFUMLM-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.13
Rot. Bonds4

About 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 1294892) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID1294892
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H14ClN3O2/c1-25-19-15(11-12-17(22-19)13-7-3-2-4-8-13)18-23-20(26-24-18)14-9-5-6-10-16(14)21/h2-12H,1H3
InChIKeyOMDASASKRFUMLM-UHFFFAOYSA-N
XLogP5.13
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 1294892) is 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is OMDASASKRFUMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-25-19-15(11-12-17(22-19)13-7-3-2-4-8-13)18-23-20(26-24-18)14-9-5-6-10-16(14)21/h2-12H,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 363.80 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).