3,5-di(propan-2-yl)-1,2,4-oxadiazole

C16H28N4O2 — CID 160948572

IUPAC3,5-di(propan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C8H14N2O/c2*1-5(2)7-9-8(6(3)4)11-10-7/h2*5-6H,1-4H3
InChIKeySVLIHTQRLVMMBR-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.63
Rot. Bonds4

About 3,5-di(propan-2-yl)-1,2,4-oxadiazole

3,5-di(propan-2-yl)-1,2,4-oxadiazole (PubChem CID 160948572) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2,4-oxadiazole
PubChem CID160948572
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3,5-di(propan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/2C8H14N2O/c2*1-5(2)7-9-8(6(3)4)11-10-7/h2*5-6H,1-4H3
InChIKeySVLIHTQRLVMMBR-UHFFFAOYSA-N
XLogP4.63
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole (CID 160948572) is 3,5-di(propan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2,4-oxadiazole is CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
The InChIKey is SVLIHTQRLVMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2O/c2*1-5(2)7-9-8(6(3)4)11-10-7/h2*5-6H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2,4-oxadiazole?
3,5-di(propan-2-yl)-1,2,4-oxadiazole has a molecular weight of 308.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 160948572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).