3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole

C17H17N3O3 — CID 913860

IUPAC3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(C)n1
InChIInChI=1S/C17H17N3O3/c1-4-22-17-14(16-18-11(2)23-20-16)8-9-15(19-17)12-6-5-7-13(10-12)21-3/h5-10H,4H2,1-3H3
InChIKeyZAMWVRWLRXNNFO-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.51
Rot. Bonds5

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

3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 913860) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
PubChem CID913860
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(C)n1
InChIInChI=1S/C17H17N3O3/c1-4-22-17-14(16-18-11(2)23-20-16)8-9-15(19-17)12-6-5-7-13(10-12)21-3/h5-10H,4H2,1-3H3
InChIKeyZAMWVRWLRXNNFO-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913863
5-(2-bromophenyl)-3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2029273
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 986623
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2005312
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 19330341
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
(Z)-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]hept-2-en-3-ol
CID 71197636
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole (CID 913860) is 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole is CCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(C)n1.
What is the InChIKey of 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is ZAMWVRWLRXNNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-22-17-14(16-18-11(2)23-20-16)8-9-15(19-17)12-6-5-7-13(10-12)21-3/h5-10H,4H2,1-3H3.
What are the key properties of 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 913860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).