tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

C123H193N19O9S — CID 161006894

About tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole

tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (PubChem CID 161006894) has the molecular formula C123H193N19O9S and a molecular weight of 2114.09 g/mol. Its IUPAC name is tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• PubChem CID: 161006894
• Molecular Formula: C123H193N19O9S
• Molecular Weight: 2114.09 g/mol
• Exact Mass: 2112.49
• IUPAC Name: tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
• SMILES: C#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1
• InChI: InChI=1S/C13H16N2O.C12H16N4O.C12H15N3O.C11H18N2O2.C11H18N2O.C10H16N2O.C10H16N2S.C10H20.2C9H15NO.C9H14.C7H14/c1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-5-9(6-7-9)8(2,3)4;1-7(2,3)6-4-5-6/h4-8H,9H2,1-3H3;5-8H,1-4H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;9H,4-8H2,1-3H3;2*5H,6H2,1-4H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3
• InChIKey: TWPSWOFYYYGWKH-UHFFFAOYSA-N
• XLogP: 33.08
• TPSA: 355.35 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.09
LogP ≤ 5	33.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The IUPAC name of tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole (CID 161006894) is tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole.

What is the SMILES notation for tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The canonical SMILES for tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is C#CC1(C(C)(C)C)CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.

What is the InChIKey of tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

The InChIKey is TWPSWOFYYYGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C12H16N4O.C12H15N3O.C11H18N2O2.C11H18N2O.C10H16N2O.C10H16N2S.C10H20.2C9H15NO.C9H14.C7H14/c1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-5-9(6-7-9)8(2,3)4;1-7(2,3)6-4-5-6/h4-8H,9H2,1-3H3;5-8H,1-4H3;4-7H,8H2,1-3H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;9H,4-8H2,1-3H3;2*5H,6H2,1-4H3;1H,6-7H2,2-4H3;6H,4-5H2,1-3H3.

What are the key properties of tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole?

tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 2114.09 g/mol, XLogP of 33.08, 17 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylcyclohexane;tert-butylcyclopropane;1-tert-butyl-1-ethynylcyclopropane;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 161006894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).