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

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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).