5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine

C174H259N29O — CID 158011524

About 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine

5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158011524) has the molecular formula C174H259N29O and a molecular weight of 2773.19 g/mol. Its IUPAC name is 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 158011524
• Molecular Formula: C174H259N29O
• Molecular Weight: 2773.19 g/mol
• Exact Mass: 2771.11
• IUPAC Name: 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: CC(C)(C)C1=CC2N=COC2C=C1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2nccn2cc1C(C)(C)C.CC(C)(C)c1cc2ncnn2nc1C(C)(C)C.CC(C)(C)c1cc2nncn2nc1C(C)(C)C.CC(C)(C)c1ccc2nccn2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cn2cccnc2c1C(C)(C)C.CC(C)(C)c1cn2ncccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncn2cncc2c1C(C)(C)C.CC(C)(C)c1nn2ccccc2c1C(C)(C)C
• InChI: InChI=1S/C16H23N.5C15H22N2.C15H23NO.3C14H21N3.2C13H20N4/c1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;1-14(2,3)11-9-13-16-7-8-17(13)10-12(11)15(4,5)6;1-14(2,3)11-7-8-12-16-9-10-17(12)13(11)15(4,5)6;1-14(2,3)11-10-17-9-7-8-16-13(17)12(11)15(4,5)6;1-14(2,3)11-10-17-12(8-7-9-16-17)13(11)15(4,5)6;1-14(2,3)12-11-9-7-8-10-17(11)16-13(12)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-13(2,3)11-10-7-15-8-17(10)9-16-12(11)14(4,5)6;1-13(2,3)11-7-10-8-15-16-17(10)9-12(11)14(4,5)6;1-13(2,3)11-12(14(4,5)6)17-10(9-15-11)7-8-16-17;1-12(2,3)9-7-10-15-14-8-17(10)16-11(9)13(4,5)6;1-12(2,3)9-7-10-14-8-15-17(10)16-11(9)13(4,5)6/h7-11H,1-6H3;5*7-10H,1-6H3;7-9,12-13H,1-6H3;3*7-9H,1-6H3;2*7-8H,1-6H3
• InChIKey: FEYDJYBCNTWXJT-UHFFFAOYSA-N
• XLogP: 43.33
• TPSA: 289.23 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2773.19
LogP ≤ 5	43.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 158011524) is 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)(C)C1=CC2N=COC2C=C1C(C)(C)C.CC(C)(C)c1cc2cnnn2cc1C(C)(C)C.CC(C)(C)c1cc2nccn2cc1C(C)(C)C.CC(C)(C)c1cc2ncnn2nc1C(C)(C)C.CC(C)(C)c1cc2nncn2nc1C(C)(C)C.CC(C)(C)c1ccc2nccn2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cn2cccnc2c1C(C)(C)C.CC(C)(C)c1cn2ncccc2c1C(C)(C)C.CC(C)(C)c1ncc2ccnn2c1C(C)(C)C.CC(C)(C)c1ncn2cncc2c1C(C)(C)C.CC(C)(C)c1nn2ccccc2c1C(C)(C)C.

What is the InChIKey of 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is FEYDJYBCNTWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.5C15H22N2.C15H23NO.3C14H21N3.2C13H20N4/c1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;1-14(2,3)11-9-13-16-7-8-17(13)10-12(11)15(4,5)6;1-14(2,3)11-7-8-12-16-9-10-17(12)13(11)15(4,5)6;1-14(2,3)11-10-17-9-7-8-16-13(17)12(11)15(4,5)6;1-14(2,3)11-10-17-12(8-7-9-16-17)13(11)15(4,5)6;1-14(2,3)12-11-9-7-8-10-17(11)16-13(12)15(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-13(2,3)11-10-7-15-8-17(10)9-16-12(11)14(4,5)6;1-13(2,3)11-7-10-8-15-16-17(10)9-12(11)14(4,5)6;1-13(2,3)11-12(14(4,5)6)17-10(9-15-11)7-8-16-17;1-12(2,3)9-7-10-15-14-8-17(10)16-11(9)13(4,5)6;1-12(2,3)9-7-10-14-8-15-17(10)16-11(9)13(4,5)6/h7-11H,1-6H3;5*7-10H,1-6H3;7-9,12-13H,1-6H3;3*7-9H,1-6H3;2*7-8H,1-6H3.

What are the key properties of 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?

5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2773.19 g/mol, XLogP of 43.33, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158011524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).