2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan

C85H164N8O4S — CID 157204760

IUPAC2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan
SMILESC1=CCC=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.c1ccoc1
InChIInChI=1S/2C10H18N2O.C7H12N2.C7H11NO.C7H11NS.C5H6.7C5H12.C4H4O/c1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;3*1-7(2,3)6-8-4-5-9-6;1-2-4-5-3-1;7*1-5(2,3)4;1-2-4-5-3-1/h2*1-6H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;1-4H,5H2;7*1-4H3;1-4H
InChIKeyARFKJINASNLMSG-UHFFFAOYSA-N
MW1394.37 g/mol
LogP28.60
Rot. Bonds

About 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan (PubChem CID 157204760) has the molecular formula C85H164N8O4S and a molecular weight of 1394.37 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan.

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan
PubChem CID157204760
Molecular FormulaC85H164N8O4S
Molecular Weight1394.37 g/mol
Exact Mass1393.26
IUPAC Name2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan
SMILESC1=CCC=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.c1ccoc1
InChIInChI=1S/2C10H18N2O.C7H12N2.C7H11NO.C7H11NS.C5H6.7C5H12.C4H4O/c1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;3*1-7(2,3)6-8-4-5-9-6;1-2-4-5-3-1;7*1-5(2,3)4;1-2-4-5-3-1/h2*1-6H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;1-4H,5H2;7*1-4H3;1-4H
InChIKeyARFKJINASNLMSG-UHFFFAOYSA-N
XLogP28.60
TPSA158.58 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.37
LogP ≤ 528.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan 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

furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
CID 157128700
ethane;furan;tetrakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene
CID 157234788
Ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;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-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;1,3-oxazole;1,3-thiazole
CID 157520570
ethane;furan;1H-imidazole;methane;octakis(2-methylpropane);1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157661264
furan;1H-imidazole;icosakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157751107
3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 158409838
ethane;furan;tetrakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;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-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole;thiophene
CID 158741583
ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,3-oxazole;1,3-thiazole
CID 159016854
ethane;furan;1H-imidazole;nonakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 159104548
2,2-dimethylpropane;ethane;furan;1H-imidazole;octakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 160254081
3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 160587326
2,2-Dimethylpropane;ethane;furan;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;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-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 160695189

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan?
The IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan (CID 157204760) is 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan.
What is the SMILES notation for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan?
The canonical SMILES for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan is C1=CCC=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.c1ccoc1.
What is the InChIKey of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan?
The InChIKey is ARFKJINASNLMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2O.C7H12N2.C7H11NO.C7H11NS.C5H6.7C5H12.C4H4O/c1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-9(2,3)7-11-8(13-12-7)10(4,5)6;3*1-7(2,3)6-8-4-5-9-6;1-2-4-5-3-1;7*1-5(2,3)4;1-2-4-5-3-1/h2*1-6H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;1-4H,5H2;7*1-4H3;1-4H.
What are the key properties of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan?
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan has a molecular weight of 1394.37 g/mol, XLogP of 28.60, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan is sourced from PubChem (CID 157204760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).