2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)

C96H170N14O7 — CID 158076258

IUPAC2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/2C11H20N2.4C11H19NO.3C10H18N2O/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h2*7H,1-6H3,(H,12,13);4*7H,1-6H3;3*1-6H3
InChIKeyFMKGFLKZZGYZML-UHFFFAOYSA-N
MW1632.51 g/mol
LogP27.08
Rot. Bonds

About 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)

2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole) (PubChem CID 158076258) has the molecular formula C96H170N14O7 and a molecular weight of 1632.51 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole).

Molecular Properties

Compound Name2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)
PubChem CID158076258
Molecular FormulaC96H170N14O7
Molecular Weight1632.51 g/mol
Exact Mass1631.34
IUPAC Name2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/2C11H20N2.4C11H19NO.3C10H18N2O/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h2*7H,1-6H3,(H,12,13);4*7H,1-6H3;3*1-6H3
InChIKeyFMKGFLKZZGYZML-UHFFFAOYSA-N
XLogP27.08
TPSA278.24 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.51
LogP ≤ 527.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 157310136
5-tert-butyl-2-ethynyl-1H-imidazole;5-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;4-tert-butyl-5-ethynyl-2H-pyrrole;bis(5-tert-butyl-2-ethynyl-3H-pyrrole)
CID 157777961
3-Tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(2,5-di(propan-2-yl)-1,3-oxazole);3,5-di(propan-2-yl)-1,2-oxazole
CID 157949331
5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 158030123
2,5-Bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;bis(2,2,8,8-tetramethylnonane)
CID 158046977
Argon;ethane;2-methylpropane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole
CID 158201256
2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
CID 158223765
2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;3,5-ditert-butyl-1H-1,2,4-triazole
CID 158233726
5-tert-butyl-2-ethynyl-1H-imidazole;5-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);bis(5-tert-butyl-2-ethynyl-3H-pyrrole)
CID 158502655
ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)
CID 158841613
1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;1-propan-2-yl-3H-pyrrol-2-one
CID 158983360
5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole
CID 159146754

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)?
The IUPAC name of 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole) (CID 158076258) is 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole).
What is the SMILES notation for 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)?
The canonical SMILES for 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole) is CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)?
The InChIKey is FMKGFLKZZGYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20N2.4C11H19NO.3C10H18N2O/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h2*7H,1-6H3,(H,12,13);4*7H,1-6H3;3*1-6H3.
What are the key properties of 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole)?
2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole) has a molecular weight of 1632.51 g/mol, XLogP of 27.08, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);bis(3,5-ditert-butyl-1H-pyrazole) is sourced from PubChem (CID 158076258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).