6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C166H208N36O4S2 — CID 157233694

About 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157233694) has the molecular formula C166H208N36O4S2 and a molecular weight of 2835.87 g/mol. Its IUPAC name is 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 157233694
• Molecular Formula: C166H208N36O4S2
• Molecular Weight: 2835.87 g/mol
• Exact Mass: 2833.66
• IUPAC Name: 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1cc2c(cn1)N=CC2.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1cc2ocnc2cn1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncoc2n1.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncoc2c1.CC(C)(C)c1csc2ncccc12.CC(C)(C)c1nc2cnccc2s1
• InChI: InChI=1S/4C11H14N2.C11H13NO.C11H13NS.6C10H13N3.3C10H12N2O.C10H12N2S/c1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9/h5-7H,4H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4*4-6H,1-3H3
• InChIKey: AUJUGMSHSYMZAT-UHFFFAOYSA-N
• XLogP: 41.11
• TPSA: 496.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2835.87
LogP ≤ 5	41.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 157233694) is 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1cc2c(cn1)N=CC2.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1cc2ocnc2cn1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncoc2n1.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncoc2c1.CC(C)(C)c1csc2ncccc12.CC(C)(C)c1nc2cnccc2s1.

What is the InChIKey of 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is AUJUGMSHSYMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H14N2.C11H13NO.C11H13NS.6C10H13N3.3C10H12N2O.C10H12N2S/c1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9/h5-7H,4H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4*4-6H,1-3H3.

What are the key properties of 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?

6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2835.87 g/mol, XLogP of 41.11, 0 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157233694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).