1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane

C135H227N29O9 — CID 159877118

About 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane

1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane (PubChem CID 159877118) has the molecular formula C135H227N29O9 and a molecular weight of 2400.49 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane
• PubChem CID: 159877118
• Molecular Formula: C135H227N29O9
• Molecular Weight: 2400.49 g/mol
• Exact Mass: 2398.82
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane
• SMILES: C.C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)c1ncon1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1
• InChI: InChI=1S/C9H14.2C8H13N.5C7H12N2.7C7H11NO.2C6H11N3.2C6H10N2O.2CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;3*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-7-4-8-9-5;;/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);8*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1H4
• InChIKey: NTAWDANLWTXXFR-UHFFFAOYSA-N
• XLogP: 35.30
• TPSA: 485.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2400.49
LogP ≤ 5	35.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane?

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane (CID 159877118) is 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane.

What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane?

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane is C.C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)c1ncon1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.

What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane?

The InChIKey is NTAWDANLWTXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.2C8H13N.5C7H12N2.7C7H11NO.2C6H11N3.2C6H10N2O.2CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;3*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-7-4-8-9-5;;/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;2*5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);8*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4H,1-3H3;2*1H4.

What are the key properties of 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane?

1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane has a molecular weight of 2400.49 g/mol, XLogP of 35.30, 0 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane is sourced from PubChem (CID 159877118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).