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

C17H17N3O2 — CID 913837

IUPAC5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1
InChIInChI=1S/C17H17N3O2/c1-4-15-19-16(20-22-15)13-9-10-14(18-17(13)21-3)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3
InChIKeyGVFZFYYJYYSAPQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.68
Rot. Bonds4

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

5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 913837) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID913837
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1
InChIInChI=1S/C17H17N3O2/c1-4-15-19-16(20-22-15)13-9-10-14(18-17(13)21-3)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3
InChIKeyGVFZFYYJYYSAPQ-UHFFFAOYSA-N
XLogP3.68
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913836
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913863
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 913867
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 664211
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 1297936
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 913837) is 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole is CCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1.
What is the InChIKey of 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is GVFZFYYJYYSAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-15-19-16(20-22-15)13-9-10-14(18-17(13)21-3)12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 913837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).