3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole

C63H93N15O2S4 — CID 158812650

About 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole

3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 158812650) has the molecular formula C63H93N15O2S4 and a molecular weight of 1220.81 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole
• PubChem CID: 158812650
• Molecular Formula: C63H93N15O2S4
• Molecular Weight: 1220.81 g/mol
• Exact Mass: 1219.65
• IUPAC Name: 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncon1
• InChI: InChI=1S/C8H11N.3C7H10N2.C6H9NO.3C6H9NS.C5H8N2O.C5H8N2S/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(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)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;3*3-6H,1-2H3;4*3-5H,1-2H3;2*3-4H,1-2H3
• InChIKey: IUWMXMDVRNBRPH-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 219.63 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1220.81
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole?

The IUPAC name of 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole (CID 158812650) is 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole?

The canonical SMILES for 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole is CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncon1.

What is the InChIKey of 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole?

The InChIKey is IUWMXMDVRNBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.3C7H10N2.C6H9NO.3C6H9NS.C5H8N2O.C5H8N2S/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(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)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;3*3-6H,1-2H3;4*3-5H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole?

3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 1220.81 g/mol, XLogP of 18.46, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158812650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).