5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

C17H17N3O3 — CID 646178

IUPAC5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1
InChIInChI=1S/C17H17N3O3/c1-4-15-19-16(20-23-15)13-9-10-14(18-17(13)22-3)11-5-7-12(21-2)8-6-11/h5-10H,4H2,1-3H3
InChIKeyYBVQALDYLYRJCN-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.38
Rot. Bonds5

About 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole

5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 646178) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID646178
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1
InChIInChI=1S/C17H17N3O3/c1-4-15-19-16(20-23-15)13-9-10-14(18-17(13)22-3)11-5-7-12(21-2)8-6-11/h5-10H,4H2,1-3H3
InChIKeyYBVQALDYLYRJCN-UHFFFAOYSA-N
XLogP3.38
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 646178) is 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is CCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1.
What is the InChIKey of 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is YBVQALDYLYRJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-15-19-16(20-23-15)13-9-10-14(18-17(13)22-3)11-5-7-12(21-2)8-6-11/h5-10H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 646178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).