2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)

C113H169N15O3S3 — CID 158754816

About 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline) (PubChem CID 158754816) has the molecular formula C113H169N15O3S3 and a molecular weight of 1881.90 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline).

Molecular Properties

• Compound Name: 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)
• PubChem CID: 158754816
• Molecular Formula: C113H169N15O3S3
• Molecular Weight: 1881.90 g/mol
• Exact Mass: 1880.27
• IUPAC Name: 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)
• SMILES: CC(C)(C)c1ccno1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CCCC2.CC(C)c1cnc2c(c1)CCCC2.CC(C)c1cnc2c(c1)OCCC2
• InChI: InChI=1S/2C12H17N.C12H16.C11H15NO.2C8H12N2.C8H12S.2C7H12N2.2C7H11NO.2C7H11NS/c2*1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6/h2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3
• InChIKey: INXXBCHSURJJLW-UHFFFAOYSA-N
• XLogP: 30.83
• TPSA: 234.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.90
LogP ≤ 5	30.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)?

The IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline) (CID 158754816) is 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline).

What is the SMILES notation for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)?

The canonical SMILES for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline) is CC(C)(C)c1ccno1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cnc2c(c1)CCCC2.CC(C)c1cnc2c(c1)CCCC2.CC(C)c1cnc2c(c1)OCCC2.

What is the InChIKey of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)?

The InChIKey is INXXBCHSURJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C12H16.C11H15NO.2C8H12N2.C8H12S.2C7H12N2.2C7H11NO.2C7H11NS/c2*1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6/h2*7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;2*4-6H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3.

What are the key properties of 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline)?

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline) has a molecular weight of 1881.90 g/mol, XLogP of 30.83, 4 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;bis(3-propan-2-yl-5,6,7,8-tetrahydroquinoline) is sourced from PubChem (CID 158754816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).