3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C26H38N6OS — CID 162094777

About 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 162094777) has the molecular formula C26H38N6OS and a molecular weight of 482.70 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
• PubChem CID: 162094777
• Molecular Formula: C26H38N6OS
• Molecular Weight: 482.70 g/mol
• Exact Mass: 482.28
• IUPAC Name: 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1cccnn1.CC(C)c1ccon1.CC(C)c1ncccn1.CC(C)c1nccs1
• InChI: InChI=1S/2C7H10N2.C6H9NO.C6H9NS/c1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3
• InChIKey: ZECFPSMWSDGRNZ-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 90.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.70
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 162094777) is 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is CC(C)c1cccnn1.CC(C)c1ccon1.CC(C)c1ncccn1.CC(C)c1nccs1.

What is the InChIKey of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?

The InChIKey is ZECFPSMWSDGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10N2.C6H9NO.C6H9NS/c1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6/h2*3-6H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?

3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 482.70 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162094777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).