5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole

C14H20N4O — CID 170264956

IUPAC5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nccc(CC(C)(C)c2ncno2)n1
InChIInChI=1S/C14H20N4O/c1-13(2,3)11-15-7-6-10(18-11)8-14(4,5)12-16-9-17-19-12/h6-7,9H,8H2,1-5H3
InChIKeyROCIZNSYQZVFDG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.68
Rot. Bonds3

About 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole

5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole (PubChem CID 170264956) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole
PubChem CID170264956
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nccc(CC(C)(C)c2ncno2)n1
InChIInChI=1S/C14H20N4O/c1-13(2,3)11-15-7-6-10(18-11)8-14(4,5)12-16-9-17-19-12/h6-7,9H,8H2,1-5H3
InChIKeyROCIZNSYQZVFDG-UHFFFAOYSA-N
XLogP2.68
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole (CID 170264956) is 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole is CC(C)(C)c1nccc(CC(C)(C)c2ncno2)n1.
What is the InChIKey of 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole?
The InChIKey is ROCIZNSYQZVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-13(2,3)11-15-7-6-10(18-11)8-14(4,5)12-16-9-17-19-12/h6-7,9H,8H2,1-5H3.
What are the key properties of 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole?
5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole has a molecular weight of 260.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpropan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 170264956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).