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

C15H13N3O3 — CID 891517

IUPAC5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccncc3)no2)c(OC)c1
InChIInChI=1S/C15H13N3O3/c1-19-11-3-4-12(13(9-11)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
InChIKeyYBZUJPYAFDJBOT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.82
Rot. Bonds4

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

5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 891517) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID891517
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccncc3)no2)c(OC)c1
InChIInChI=1S/C15H13N3O3/c1-19-11-3-4-12(13(9-11)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
InChIKeyYBZUJPYAFDJBOT-UHFFFAOYSA-N
XLogP2.82
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cym5181
CID 976135
4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789891
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide
CID 649849
5-(2,4-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 893238
3-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 678423
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 806077
4-[5-(2-Methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 848354
5-[(3,4-Dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 891517) is 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccncc3)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is YBZUJPYAFDJBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-19-11-3-4-12(13(9-11)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 283.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 891517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).