2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole

C72H116N16O11 — CID 157143417

IUPAC2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnno1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1ncon1.CC(C)(C)c1nnno1.CC(C)(C)c1nnon1
InChIInChI=1S/3C8H12O.2C7H11NO.4C6H10N2O.2C5H9N3O/c2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-4-7-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2,3)4-6-7-8-9-4;1-5(2,3)4-6-8-9-7-4/h3*4-6H,1-3H3;2*4-5H,1-3H3;4*4H,1-3H3;2*1-3H3
InChIKeyAKLAIKWQAFRONQ-UHFFFAOYSA-N
MW1381.82 g/mol
LogP18.67
Rot. Bonds

About 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole

2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole (PubChem CID 157143417) has the molecular formula C72H116N16O11 and a molecular weight of 1381.82 g/mol. Its IUPAC name is 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole
PubChem CID157143417
Molecular FormulaC72H116N16O11
Molecular Weight1381.82 g/mol
Exact Mass1380.90
IUPAC Name2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnno1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1ncon1.CC(C)(C)c1nnno1.CC(C)(C)c1nnon1
InChIInChI=1S/3C8H12O.2C7H11NO.4C6H10N2O.2C5H9N3O/c2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-4-7-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2,3)4-6-7-8-9-4;1-5(2,3)4-6-8-9-7-4/h3*4-6H,1-3H3;2*4-5H,1-3H3;4*4H,1-3H3;2*1-3H3
InChIKeyAKLAIKWQAFRONQ-UHFFFAOYSA-N
XLogP18.67
TPSA350.78 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.82
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
CID 157480726
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-3H-pyrazole;5-tert-butyl-3H-pyrazole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;5-tert-butyl-4H-triazole;methane
CID 157639333
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-2,5-dimethyl-1,3-oxazole;2-tert-butyl-3-ethylfuran;5-tert-butyl-4-ethyl-2-methyl-1,3-oxazole;5-tert-butyl-4-ethyl-3-methyl-1,2-oxazole;4-tert-butyl-3-ethyl-1-methylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3H-pyrrole
CID 157790182
3-(2,2-dimethylpropyl)-2,4-dimethylfuran;3-(2,2-dimethylpropyl)-1,5-dimethylpyrazole;2-(2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;3-(2,2-dimethylpropyl)-1-methyl-1,2,4-triazole;4-(2,2-dimethylpropyl)-1-methyltriazole;5-(2,2-dimethylpropyl)-3H-pyrazole;5-(2,2-dimethylpropyl)-3H-1,2,4-triazole;methane
CID 158022756
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1H-imidazole;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);1,3-bis(2,2-dimethylpropyl)pyrazole;3,5-bis(2,2-dimethylpropyl)-1H-pyrazole;2,4-bis(2,2-dimethylpropyl)-3H-pyrrole;1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;2,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 158153375
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);bis(1,5-dimethylpyrazole);bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);2,5-dimethyltetrazole;1,5-dimethyl-2H-tetrazol-1-ium;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole
CID 158267241
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane
CID 158684547
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;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);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 158685152
bis(2-tert-butylcyclopenta-1,3-diene);tetrakis(2-tert-butylfuran);tetrakis(3-tert-butylfuran);bis(2-tert-butyl-1H-imidazole);5-tert-butyl-1H-imidazole;hexakis(2-tert-butyl-1,3-oxazole);bis(4-tert-butyl-1,2-oxazole);hexakis(4-tert-butyl-1,3-oxazole);bis(5-tert-butyl-1,3-oxazole);tetrakis(2-tert-butyl-1H-pyrrole);bis(3-tert-butyl-1H-pyrrole);5-tert-butyl-3H-pyrrole;methane
CID 158723208
1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole
CID 158764977
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;2,4-bis(2,2-dimethylpropyl)-1,3-oxazole;bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);3,5-bis(2,2-dimethylpropyl)-1,2-oxazole;1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;2,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 158919776

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole?
The IUPAC name of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole (CID 157143417) is 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole?
The canonical SMILES for 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole is CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnno1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnon1.CC(C)(C)c1cocn1.CC(C)(C)c1conn1.CC(C)(C)c1ncon1.CC(C)(C)c1nnno1.CC(C)(C)c1nnon1.
What is the InChIKey of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole?
The InChIKey is AKLAIKWQAFRONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H12O.2C7H11NO.4C6H10N2O.2C5H9N3O/c2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-4-9-8-7-5;1-6(2,3)5-4-7-8-9-5;1-6(2,3)5-4-7-9-8-5;1-5(2,3)4-6-7-8-9-4;1-5(2,3)4-6-8-9-7-4/h3*4-6H,1-3H3;2*4-5H,1-3H3;4*4H,1-3H3;2*1-3H3.
What are the key properties of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole?
2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole has a molecular weight of 1381.82 g/mol, XLogP of 18.67, 0 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;5-tert-butyloxatriazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole is sourced from PubChem (CID 157143417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).