5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole

C10H18N2O2 — CID 21063833

IUPAC5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(C)OCc1noc(C(C)(C)C)n1
InChIInChI=1S/C10H18N2O2/c1-7(2)13-6-8-11-9(14-12-8)10(3,4)5/h7H,6H2,1-5H3
InChIKeyNHCHEIHPRGBMKQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.29
Rot. Bonds3

About 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole

5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 21063833) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
PubChem CID21063833
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(C)OCc1noc(C(C)(C)C)n1
InChIInChI=1S/C10H18N2O2/c1-7(2)13-6-8-11-9(14-12-8)10(3,4)5/h7H,6H2,1-5H3
InChIKeyNHCHEIHPRGBMKQ-UHFFFAOYSA-N
XLogP2.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,2,4-oxadiazol-3-yl)ethan-1-ol
CID 75525832
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 58044391
5-Cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole
CID 58044425
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 58044652
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 58044668
3-(1,1-Difluoropropoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 68081409
3-(1,1-Difluoropropoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 68081667
5-Propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 89981814
3-(1,1-Difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 90124944
3-(1,1-Difluoroethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole;ethane
CID 144307211
3-(1,1-Difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
CID 144307300
Ethyl 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 150821732

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole (CID 21063833) is 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole is CC(C)OCc1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is NHCHEIHPRGBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)13-6-8-11-9(14-12-8)10(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 198.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 21063833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).