1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene

C167H275N15OS4 — CID 157426196

About 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene

1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene (PubChem CID 157426196) has the molecular formula C167H275N15OS4 and a molecular weight of 2637.41 g/mol. Its IUPAC name is 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene.

Molecular Properties

• Compound Name: 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene
• PubChem CID: 157426196
• Molecular Formula: C167H275N15OS4
• Molecular Weight: 2637.41 g/mol
• Exact Mass: 2635.08
• IUPAC Name: 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene
• SMILES: CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cnncc1C(C)(C)C.CC(C)(C)c1cnsc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1cscc1C(C)(C)C.CC(C)(C)c1csnc1C(C)(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccncc1C(C)(C)C.CC(C)c1cnccc1C(C)(C)C.CC(C)c1nccnc1C(C)(C)C
• InChI: InChI=1S/2C13H21N.C13H20.3C12H20N2.2C12H19N.2C12H20S.C11H18N2.C11H19NO.2C11H19NS/c2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-11(2,3)9-7-13-8-14-10(9)12(4,5)6;1-11(2,3)9-7-13-14-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;1-9(2)10-8-13-7-6-11(10)12(3,4)5;1-9(2)10-6-7-13-8-11(10)12(3,4)5;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-8(2)9-10(11(3,4)5)13-7-6-12-9;2*1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6/h2*7-9H,1-6H3;6-10H,1-5H3;3*7-8H,1-6H3;2*6-9H,1-5H3;2*7-8H,1-6H3;6-8H,1-5H3;3*7H,1-6H3
• InChIKey: BPZHSJMXPOZJMM-UHFFFAOYSA-N
• XLogP: 50.01
• TPSA: 206.49 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2637.41
LogP ≤ 5	50.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene?

The IUPAC name of 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene (CID 157426196) is 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene.

What is the SMILES notation for 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene?

The canonical SMILES for 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene is CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1ccnnc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cncnc1C(C)(C)C.CC(C)(C)c1cnncc1C(C)(C)C.CC(C)(C)c1cnsc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1cscc1C(C)(C)C.CC(C)(C)c1csnc1C(C)(C)C.CC(C)c1ccccc1C(C)(C)C.CC(C)c1ccncc1C(C)(C)C.CC(C)c1cnccc1C(C)(C)C.CC(C)c1nccnc1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene?

The InChIKey is BPZHSJMXPOZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N.C13H20.3C12H20N2.2C12H19N.2C12H20S.C11H18N2.C11H19NO.2C11H19NS/c2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-11(2,3)9-7-13-8-14-10(9)12(4,5)6;1-11(2,3)9-7-13-14-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;1-9(2)10-8-13-7-6-11(10)12(3,4)5;1-9(2)10-6-7-13-8-11(10)12(3,4)5;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-8(2)9-10(11(3,4)5)13-7-6-12-9;2*1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6/h2*7-9H,1-6H3;6-10H,1-5H3;3*7-8H,1-6H3;2*6-9H,1-5H3;2*7-8H,1-6H3;6-8H,1-5H3;3*7H,1-6H3.

What are the key properties of 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene?

1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene has a molecular weight of 2637.41 g/mol, XLogP of 50.01, 4 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-propan-2-ylbenzene;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-4-propan-2-ylpyridine;4-tert-butyl-3-propan-2-ylpyridine;3,4-ditert-butyl-1,2-oxazole;3,4-ditert-butylpyridazine;4,5-ditert-butylpyridazine;bis(2,3-ditert-butylpyridine);4,5-ditert-butylpyrimidine;3,4-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene is sourced from PubChem (CID 157426196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).