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

C70H119N7O3 — CID 157450532

IUPAC2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/2C13H21N.C12H20O.C11H20N2.C11H19NO.C10H18N2O/c2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-10(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/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);7H,1-6H3;1-6H3
InChIKeyBSTBVCOPPLENNB-UHFFFAOYSA-N
MW1106.77 g/mol
LogP20.17
Rot. Bonds

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

2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) (PubChem CID 157450532) has the molecular formula C70H119N7O3 and a molecular weight of 1106.77 g/mol. Its IUPAC name is 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine).

Molecular Properties

Compound Name2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
PubChem CID157450532
Molecular FormulaC70H119N7O3
Molecular Weight1106.77 g/mol
Exact Mass1105.94
IUPAC Name2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/2C13H21N.C12H20O.C11H20N2.C11H19NO.C10H18N2O/c2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-10(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/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);7H,1-6H3;1-6H3
InChIKeyBSTBVCOPPLENNB-UHFFFAOYSA-N
XLogP20.17
TPSA132.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.77
LogP ≤ 520.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 157208151
2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
CID 158289466
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;methane;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 158629319
3-tert-butyl-5-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1H-pyrazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)pyridine
CID 158831423
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
CID 159002805
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyltetrazole;4-tert-butyl-1-methyltriazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
CID 159030602
3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
CID 161773147
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24588153
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-2-pyridinamine
CID 26329848
5-[3-(4-methoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinamine
CID 28098585
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55653385
[6-(2,5-Dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55962745

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
The IUPAC name of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) (CID 157450532) is 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine).
What is the SMILES notation for 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
The canonical SMILES for 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) is CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
The InChIKey is BSTBVCOPPLENNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N.C12H20O.C11H20N2.C11H19NO.C10H18N2O/c2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-10(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/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);7H,1-6H3;1-6H3.
What are the key properties of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) has a molecular weight of 1106.77 g/mol, XLogP of 20.17, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) is sourced from PubChem (CID 157450532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).