5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C17H17N3O — CID 867088

IUPAC5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C17H17N3O/c1-17(2,3)14-6-4-13(5-7-14)16-19-15(20-21-16)12-8-10-18-11-9-12/h4-11H,1-3H3
InChIKeyIIDBTGTXYSBETK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.10
Rot. Bonds2

About 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 867088) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID867088
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C17H17N3O/c1-17(2,3)14-6-4-13(5-7-14)16-19-15(20-21-16)12-8-10-18-11-9-12/h4-11H,1-3H3
InChIKeyIIDBTGTXYSBETK-UHFFFAOYSA-N
XLogP4.10
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 867088) is 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)(C)c1ccc(-c2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is IIDBTGTXYSBETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(2,3)14-6-4-13(5-7-14)16-19-15(20-21-16)12-8-10-18-11-9-12/h4-11H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 279.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 867088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).