3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine

C109H136N16O5 — CID 157108110

About 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine

3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine (PubChem CID 157108110) has the molecular formula C109H136N16O5 and a molecular weight of 1750.39 g/mol. Its IUPAC name is 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine
• PubChem CID: 157108110
• Molecular Formula: C109H136N16O5
• Molecular Weight: 1750.39 g/mol
• Exact Mass: 1749.09
• IUPAC Name: 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine
• SMILES: CC(C)(C)N1C=CC=C2CCC=C21.CC(C)(C)c1ccc2c(c1)=CCN=2.CC(C)(C)c1ccc2conc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2nocc2n1.CC(C)(C)c1cccc2c1=NCC=2.CC(C)(C)c1cccc2nocc12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1onc2ccccc12.CC(C)(C)c1onc2cccnc12
• InChI: InChI=1S/C12H17N.2C12H15N.3C11H13NO.2C10H13N3.2C10H12N2O/c1-12(2,3)13-9-5-7-10-6-4-8-11(10)13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-13-12-10(8)6-9;1-11(2,3)9-5-4-6-10-8(9)7-13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)9-5-4-7-8(11-9)6-13-12-7;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h5,7-9H,4,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5*4-7H,1-3H3;2*4-6H,1-3H3
• InChIKey: AGNONNAPNPQNKK-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 244.27 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.39
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine?

The IUPAC name of 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine (CID 157108110) is 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine.

What is the SMILES notation for 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine?

The canonical SMILES for 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine is CC(C)(C)N1C=CC=C2CCC=C21.CC(C)(C)c1ccc2c(c1)=CCN=2.CC(C)(C)c1ccc2conc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2nocc2n1.CC(C)(C)c1cccc2c1=NCC=2.CC(C)(C)c1cccc2nocc12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1onc2ccccc12.CC(C)(C)c1onc2cccnc12.

What is the InChIKey of 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine?

The InChIKey is AGNONNAPNPQNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C12H15N.3C11H13NO.2C10H13N3.2C10H12N2O/c1-12(2,3)13-9-5-7-10-6-4-8-11(10)13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-13-12-10(8)6-9;1-11(2,3)9-5-4-6-10-8(9)7-13-12-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)9-5-4-7-8(11-9)6-13-12-7;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8/h5,7-9H,4,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5*4-7H,1-3H3;2*4-6H,1-3H3.

What are the key properties of 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine?

3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine has a molecular weight of 1750.39 g/mol, XLogP of 24.48, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2,1-benzoxazole;4-tert-butyl-2,1-benzoxazole;6-tert-butyl-2,1-benzoxazole;1-tert-butyl-5,6-dihydrocyclopenta[b]pyridine;3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indole;7-tert-butyl-2H-indole;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;5-tert-butyl-[1,2]oxazolo[4,3-b]pyridine is sourced from PubChem (CID 157108110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).