3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole

C14H24N4O2 — CID 158174251

IUPAC3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole
SMILESCc1nc(C(C)(C)C)no1.Cc1noc(C(C)(C)C)n1
InChIInChI=1S/2C7H12N2O/c1-5-8-6(9-10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h2*1-4H3
InChIKeyFXUVTEXRBKTVQD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds

About 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole

3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole (PubChem CID 158174251) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole
PubChem CID158174251
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole
SMILESCc1nc(C(C)(C)C)no1.Cc1noc(C(C)(C)C)n1
InChIInChI=1S/2C7H12N2O/c1-5-8-6(9-10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h2*1-4H3
InChIKeyFXUVTEXRBKTVQD-UHFFFAOYSA-N
XLogP3.35
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole (CID 158174251) is 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole is Cc1nc(C(C)(C)C)no1.Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole?
The InChIKey is FXUVTEXRBKTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2O/c1-5-8-6(9-10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4/h2*1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole?
3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 158174251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).