3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

C22H19N3O2 — CID 4112916

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H19N3O2/c1-3-26-22-18(13-14-19(23-22)16-7-5-4-6-8-16)20-24-21(27-25-20)17-11-9-15(2)10-12-17/h4-14H,3H2,1-2H3
InChIKeyVPDNEPAFCMANKP-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.17
Rot. Bonds5

About 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 4112916) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID4112916
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H19N3O2/c1-3-26-22-18(13-14-19(23-22)16-7-5-4-6-8-16)20-24-21(27-25-20)17-11-9-15(2)10-12-17/h4-14H,3H2,1-2H3
InChIKeyVPDNEPAFCMANKP-UHFFFAOYSA-N
XLogP5.17
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
2-Ethoxy-6-phenyl-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 645805
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-p-tolyl-pyridine
CID 653318
2-Ethoxy-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridine
CID 655513
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664369
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-phenylpyridine
CID 664462
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 4112916) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(C)cc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is VPDNEPAFCMANKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-26-22-18(13-14-19(23-22)16-7-5-4-6-8-16)20-24-21(27-25-20)17-11-9-15(2)10-12-17/h4-14H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 357.41 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4112916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).