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

C17H17N3O3 — CID 653318

IUPAC5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1
InChIInChI=1S/C17H17N3O3/c1-11-4-6-12(7-5-11)14-9-8-13(17(18-14)22-3)16-19-15(10-21-2)23-20-16/h4-9H,10H2,1-3H3
InChIKeyHUCLFBRJIUDPLV-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.26
Rot. Bonds5

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

5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 653318) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID653318
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1
InChIInChI=1S/C17H17N3O3/c1-11-4-6-12(7-5-11)14-9-8-13(17(18-14)22-3)16-19-15(10-21-2)23-20-16/h4-9H,10H2,1-3H3
InChIKeyHUCLFBRJIUDPLV-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-phenyl-pyridine
CID 656230
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664369
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
5-Ethyl-3-(2-methoxy-6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 913826
2-Ethoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-p-tolyl-pyridine
CID 652883
3-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 664779
Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-2-pyridinyl ether
CID 852897
2-Ethoxy-6-(4-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine
CID 913865
5-(methoxymethyl)-3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-1,2,4-oxadiazole
CID 127038937
3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 127040258
3-(5-Ethyl-[1,2,4]oxadiazol-3-yl)-2-methoxy-6-(4-methoxy-phenyl)-pyridine
CID 646178
5-(2-Furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 646957

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 653318) is 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole is COCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is HUCLFBRJIUDPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-4-6-12(7-5-11)14-9-8-13(17(18-14)22-3)16-19-15(10-21-2)23-20-16/h4-9H,10H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 653318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).