5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C57H90N12O3S3 — CID 160960263

About 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 160960263) has the molecular formula C57H90N12O3S3 and a molecular weight of 1087.63 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 160960263
• Molecular Formula: C57H90N12O3S3
• Molecular Weight: 1087.63 g/mol
• Exact Mass: 1086.64
• IUPAC Name: 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1
• InChI: InChI=1S/C7H12N2.C7H11NO.C7H11NS.2C6H10N2.2C6H9NO.2C6H9NS/c1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-9-5-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3
• InChIKey: SWXPMBNCMONUOV-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 202.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.63
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The IUPAC name of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 160960263) is 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.

What is the InChIKey of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The InChIKey is SWXPMBNCMONUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H11NO.C7H11NS.2C6H10N2.2C6H9NO.2C6H9NS/c1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)6-4-9-5-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3.

What are the key properties of 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1087.63 g/mol, XLogP of 17.32, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160960263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).