5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole

C29H47N9OS — CID 159262096

About 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole

5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole (PubChem CID 159262096) has the molecular formula C29H47N9OS and a molecular weight of 569.82 g/mol. Its IUPAC name is 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole.

Molecular Properties

• Compound Name: 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole
• PubChem CID: 159262096
• Molecular Formula: C29H47N9OS
• Molecular Weight: 569.82 g/mol
• Exact Mass: 569.36
• IUPAC Name: 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole
• SMILES: CC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1
• InChI: InChI=1S/2C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-4-8-7-6;1-4(2)5-3-6-8-7-5/h2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
• InChIKey: KWQIYOXIQORUHE-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 137.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.82
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole (CID 159262096) is 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole.

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

The canonical SMILES for 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole is CC(C)c1ccn[nH]1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.

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

The InChIKey is KWQIYOXIQORUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-4-8-7-6;1-4(2)5-3-6-8-7-5/h2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).

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

5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole has a molecular weight of 569.82 g/mol, XLogP of 8.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 159262096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).