3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole

C21H38N4O — CID 158932758

IUPAC3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1
InChIInChI=1S/C11H19NO.C10H19N3/c1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h7H,1-6H3;1-6H3,(H,11,12,13)
InChIKeyJJGSYMVMYIJTTQ-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.67
Rot. Bonds

About 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole

3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole (PubChem CID 158932758) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
PubChem CID158932758
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1
InChIInChI=1S/C11H19NO.C10H19N3/c1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h7H,1-6H3;1-6H3,(H,11,12,13)
InChIKeyJJGSYMVMYIJTTQ-UHFFFAOYSA-N
XLogP5.67
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-tert-butyl-5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 58057164
3,3-dimethyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]butan-2-one
CID 58201713
5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 58201730
3-tert-butyl-5-[5-(1-iodoethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 68047214
3-tert-butyl-5-[5-(1,1-diiodoethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 70951686
3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen
CID 143894519
3,5-ditert-butyl-1-ethyl-1,2,4-triazole;3,5-ditert-butyl-4-methyl-1H-1,2,4-triazol-4-ium;bis(3,5-ditert-butyl-1,2-oxazole);3,5-ditert-butyl-1H-1,2,4-triazole
CID 157062579
3,5-Di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)-1,2,4-triazole
CID 158286105
3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole;methane
CID 159099435
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyltetrazole;methane
CID 159387258
bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3,4-thiadiazole;3,5-ditert-butyl-1H-1,2,4-triazole
CID 159811763
3,5-Ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole
CID 160586879

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole (CID 158932758) is 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.
What is the InChIKey of 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
The InChIKey is JJGSYMVMYIJTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C10H19N3/c1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6/h7H,1-6H3;1-6H3,(H,11,12,13).
What are the key properties of 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole has a molecular weight of 362.56 g/mol, XLogP of 5.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 158932758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).