5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole

C15H19N3O3 — CID 136531276

IUPAC5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)Oc1cc(-c2nc(C3CCCO3)no2)ccn1
InChIInChI=1S/C15H19N3O3/c1-3-10(2)20-13-9-11(6-7-16-13)15-17-14(18-21-15)12-5-4-8-19-12/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyDARKGNNMUNGZIR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.16
Rot. Bonds5

About 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole

5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 136531276) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID136531276
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)Oc1cc(-c2nc(C3CCCO3)no2)ccn1
InChIInChI=1S/C15H19N3O3/c1-3-10(2)20-13-9-11(6-7-16-13)15-17-14(18-21-15)12-5-4-8-19-12/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyDARKGNNMUNGZIR-UHFFFAOYSA-N
XLogP3.16
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 913909
3-(3,4-Diethoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 666359
4-[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 699742
3-(5-Furan-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 577823
4-[5-(2-Methyl-3-furyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 659608
5-(3-Phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
CID 2194880
US11066396, Example 427
CID 132258119
US11066396, Example 225
CID 132258525
US11066396, Example 103
CID 132258580
2-(4-Fluorophenoxy)-1-{3-[5-(pyridin-4-YL)-1,2,4-oxadiazol-3-YL]pyrrolidin-1-YL}ethan-1-one
CID 91905654
5-(3-Phenoxypropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2195245

Frequently Asked Questions

What is the IUPAC name of 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole (CID 136531276) is 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole is CCC(C)Oc1cc(-c2nc(C3CCCO3)no2)ccn1.
What is the InChIKey of 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is DARKGNNMUNGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-10(2)20-13-9-11(6-7-16-13)15-17-14(18-21-15)12-5-4-8-19-12/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole?
5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 289.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-yloxy-4-pyridinyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136531276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).