3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole

C85H127N9O3S — CID 157169156

About 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole

3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 157169156) has the molecular formula C85H127N9O3S and a molecular weight of 1355.08 g/mol. Its IUPAC name is 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole
• PubChem CID: 157169156
• Molecular Formula: C85H127N9O3S
• Molecular Weight: 1355.08 g/mol
• Exact Mass: 1353.98
• IUPAC Name: 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole
• SMILES: C=CC1=CC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nocc1C(C)(C)C.Cc1cc(C(C)(C)C)sn1
• InChI: InChI=1S/C11H16.3C10H15N.C9H14N2.3C9H13NO.C8H13NS/c1-5-9-6-7-10(8-9)11(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5,7-8H,1,6H2,2-4H3;3*5-6H,1,7H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5-6H,1H2,2-4H3;5H,1-4H3
• InChIKey: ANGHZBIHRXNZIS-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 156.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1355.08
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole?

The IUPAC name of 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole (CID 157169156) is 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole.

What is the SMILES notation for 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole?

The canonical SMILES for 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole is C=CC1=CC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1nc(C(C)(C)C)co1.C=Cc1ncc(C(C)(C)C)o1.C=Cc1nocc1C(C)(C)C.Cc1cc(C(C)(C)C)sn1.

What is the InChIKey of 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole?

The InChIKey is ANGHZBIHRXNZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.3C10H15N.C9H14N2.3C9H13NO.C8H13NS/c1-5-9-6-7-10(8-9)11(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5,7-8H,1,6H2,2-4H3;3*5-6H,1,7H2,2-4H3;5-6H,1H2,2-4H3,(H,10,11);3*5-6H,1H2,2-4H3;5H,1-4H3.

What are the key properties of 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole?

3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 1355.08 g/mol, XLogP of 24.22, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 157169156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).