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

C18H19N3O2 — CID 913836

IUPAC3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1
InChIInChI=1S/C18H19N3O2/c1-4-5-16-20-17(21-23-16)14-10-11-15(19-18(14)22-3)13-8-6-12(2)7-9-13/h6-11H,4-5H2,1-3H3
InChIKeyAVNVQEXVEYRDNR-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.07
Rot. Bonds5

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

3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 913836) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
PubChem CID913836
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1
InChIInChI=1S/C18H19N3O2/c1-4-5-16-20-17(21-23-16)14-10-11-15(19-18(14)22-3)13-8-6-12(2)7-9-13/h6-11H,4-5H2,1-3H3
InChIKeyAVNVQEXVEYRDNR-UHFFFAOYSA-N
XLogP4.07
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 913837
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
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole (CID 913836) is 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1.
What is the InChIKey of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is AVNVQEXVEYRDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-5-16-20-17(21-23-16)14-10-11-15(19-18(14)22-3)13-8-6-12(2)7-9-13/h6-11H,4-5H2,1-3H3.
What are the key properties of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 913836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).