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

C15H13N3O3 — CID 700578

IUPAC5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C15H13N3O3/c1-19-12-6-5-10(8-13(12)20-2)15-17-14(18-21-15)11-4-3-7-16-9-11/h3-9H,1-2H3
InChIKeyIUSIHRYBWNGYSH-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.82
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 700578) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID700578
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OC
InChIInChI=1S/C15H13N3O3/c1-19-12-6-5-10(8-13(12)20-2)15-17-14(18-21-15)11-4-3-7-16-9-11/h3-9H,1-2H3
InChIKeyIUSIHRYBWNGYSH-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 700578) is 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccnc3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is IUSIHRYBWNGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-19-12-6-5-10(8-13(12)20-2)15-17-14(18-21-15)11-4-3-7-16-9-11/h3-9H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-pyridin-3-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-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 700578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).