3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole

C18H19N3O3 — CID 664369

IUPAC3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(C(C)C)n3)c(OC)n2)cc1
InChIInChI=1S/C18H19N3O3/c1-11(2)17-20-16(21-24-17)14-9-10-15(19-18(14)23-4)12-5-7-13(22-3)8-6-12/h5-11H,1-4H3
InChIKeyVIWMNBHJMMKRDC-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.94
Rot. Bonds5

About 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 664369) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID664369
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(C(C)C)n3)c(OC)n2)cc1
InChIInChI=1S/C18H19N3O3/c1-11(2)17-20-16(21-24-17)14-9-10-15(19-18(14)23-4)12-5-7-13(22-3)8-6-12/h5-11H,1-4H3
InChIKeyVIWMNBHJMMKRDC-UHFFFAOYSA-N
XLogP3.94
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 664369) is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(C(C)C)n3)c(OC)n2)cc1.
What is the InChIKey of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VIWMNBHJMMKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(2)17-20-16(21-24-17)14-9-10-15(19-18(14)23-4)12-5-7-13(22-3)8-6-12/h5-11H,1-4H3.
What are the key properties of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 664369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).